Geometry & MOs

Info

ID:	138698
PubChem CID:	52411340
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-166.5
Dipole, Da:	3.5
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C2=CC(=CC=C2)NC(=O)CCCNC(=O)OC(C)(C)C)C

DOS

IR

Vibrations