Geometry & MOs

Info

ID:	282645
PubChem CID:	103934166
Reduced:	BrO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	274.098524
ΔH_f, kcal/mol:	42.65
Dipole, Da:	3.81
IP(EA), eV:	-8.96(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6-chloro-5-methylpyridin-3-yl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NCC2=CC(=CC=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations