Geometry & MOs

Info

ID:	343544
PubChem CID:	127266717
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	342.03275
ΔH_f, kcal/mol:	50.61
Dipole, Da:	4.8
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-bromo-5-nitropyridin-2-yl)pyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=N2)NCC(CC3=CN(N=C3)C)CO

DOS

IR

Vibrations