Geometry & MOs

Info

ID:	155989
PubChem CID:	56368630
Reduced:	ClO3N5H14C19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	367.0087
ΔH_f, kcal/mol:	52.81
Dipole, Da:	5.29
IP(EA), eV:	-9.32(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[[3-(dimethylamino)phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-])Cl)N4C=CN=C4

DOS

IR

Vibrations