Geometry & MOs

Info

ID:	36994
PubChem CID:	8016002
Reduced:	NO6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	375.147058
ΔH_f, kcal/mol:	-251.58
Dipole, Da:	7.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761267
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dimethyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)[O-])NC(=O)CC1=C(C2=C(C=C3C(=C2)CCC(O3)(C)C)OC1=O)C

DOS

IR

Vibrations