Geometry & MOs

Info

ID:	292372
PubChem CID:	114917803
Reduced:	OCl2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	313.074868
ΔH_f, kcal/mol:	-41.65
Dipole, Da:	4.08
IP(EA), eV:	-8.86(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations