Geometry & MOs

Info

ID:

438876

PubChem CID:

135228636

Reduced:

N3O4C28H31 (1)

Stoich.:

A3B4C28D31 (1)

Weight, g/mol:

467.330048

ΔHf, kcal/mol:

-95.12

Dipole, Da:

13.03

IP(EA), eV:

 -8.59(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(1Z)-3-tert-butyl-7-methyl-1-[(Z)-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene]-3,4-dihydro-2H-isoquinolin-6-yl]-N-(cyclopropylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(C=C4)NCC5CC5

DOS

IR

Vibrations