Geometry & MOs

Info

ID:	39329
PubChem CID:	8140283
Reduced:	SO2N5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	36.31
Dipole, Da:	8.45
IP(EA), eV:	-8.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-nitro-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2

DOS

IR

Vibrations