Geometry & MOs

Info

ID:	38210
PubChem CID:	8028015
Reduced:	N2O4C25H29 (1)
Stoich.:	A2B4C25D29 (1)
Weight, g/mol:	367.141973
ΔH_f, kcal/mol:	-101.56
Dipole, Da:	23.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.141555
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

DOS

IR

Vibrations