Geometry & MOs

Info

ID:

448715

PubChem CID:

135292934

Reduced:

N2O2C14H15 (2)

Stoich.:

A2B2C14D15 (2)

Weight, g/mol:

434.229346

ΔHf, kcal/mol:

-89.38

Dipole, Da:

2.86

IP(EA), eV:

 -8.61(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[2-[2-[[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]amino]-5-(trifluoromethyl)-1,4-dihydropyrimidin-6-yl]ethyl]cyclohexa-1,5-dien-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C1=CC=CC=C1)C(=O)N2C(CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4OC)NC

DOS

IR

Vibrations