Geometry & MOs

Info

ID:	292371
PubChem CID:	114917744
Reduced:	ClNOH2C4 (3)
Stoich.:	ABCD2E4 (3)
Weight, g/mol:	315.090518
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	2.18
IP(EA), eV:	-10.12(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC(=O)C2=CC(=NC=C2Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations