Geometry & MOs

Info

ID:	346412
PubChem CID:	127270916
Reduced:	ClO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	397.130553
ΔH_f, kcal/mol:	-15.66
Dipole, Da:	6.5
IP(EA), eV:	-9.12(-0.89)
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-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCCC(C3)C(=O)NC4=NC=C(C=C4)Cl)NN=C2

DOS

IR

Vibrations