Geometry & MOs

Info

ID:	275666
PubChem CID:	103816973
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	312.098918
ΔH_f, kcal/mol:	3.26
Dipole, Da:	3.22
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC(=O)C2=NC=C(N=C2)C)C

DOS

IR

Vibrations