Geometry & MOs

Info

ID:

438903

PubChem CID:

135228664

Reduced:

NO2C10H11 (3)

Stoich.:

AB2C10D11 (3)

Weight, g/mol:

484.38175

ΔHf, kcal/mol:

-210.14

Dipole, Da:

10.26

IP(EA), eV:

 -9.32(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z,Z)-N-[(3-ethenylpyrrolidin-1-yl)methyl]-2-[2-methyl-5-(3-methylbutyl)-4-[(2E,5Z)-4-methylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl]phenyl]but-2-en-1-imine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2CCC(C2)C(=O)O)C3=C(C=C4C(=C3)CC(N5C4=CC(=O)C(=C5)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations