Geometry & MOs

Info

ID:	37007
PubChem CID:	8016065
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-226.87
Dipole, Da:	5.68
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4,8-dimethyl-7-(3-methylbut-2-enoxy)-2-oxochromen-3-yl]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NC3=CC(=CC=C3)OC)O)C

DOS

IR

Vibrations