Geometry & MOs

Info

ID:	30592
PubChem CID:	841547
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	-83.97
Dipole, Da:	2.98
IP(EA), eV:	-8.9(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@@H](C)NC(=O)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations