Geometry & MOs

Info

ID:	346411
PubChem CID:	127270915
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	397.130553
ΔH_f, kcal/mol:	-13.16
Dipole, Da:	2.61
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC(=CC4=C3NN=C4)C

DOS

IR

Vibrations