Geometry & MOs

Info

ID:	123029
PubChem CID:	50830958
Reduced:	ClN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	495.248169
ΔH_f, kcal/mol:	-74.14
Dipole, Da:	8.23
IP(EA), eV:	-9.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-[1-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)NC4CC4

DOS

IR

Vibrations