Geometry & MOs

Info

ID:	37036
PubChem CID:	8016314
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-15.77
Dipole, Da:	1.53
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,7-dimethyl-5-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CN[C@H](C(=O)C2=C1C3=CC=CC=C3N2)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations