Geometry & MOs

Info

ID:	37000
PubChem CID:	8016036
Reduced:	NO6C21H21 (1)
Stoich.:	AB6C21D21 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-217.87
Dipole, Da:	6.27
IP(EA), eV:	-9.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC(=C3C(=O)CC(OC3=C2)(C)C)O

DOS

IR

Vibrations