Geometry & MOs

Info

ID:	64607
PubChem CID:	29203213
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	347.148121
ΔH_f, kcal/mol:	-151.48
Dipole, Da:	2.7
IP(EA), eV:	-9.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-2-[(1S,2R,3R)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1=C2C=C(C=CC2=NC(=C1)C)C

DOS

IR

Vibrations