Geometry & MOs

Info

ID:	123031
PubChem CID:	50830991
Reduced:	O3N5C21H33 (1)
Stoich.:	A3B5C21D33 (1)
Weight, g/mol:	467.233268
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	8.18
IP(EA), eV:	-9.25(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC2=C(C1)C(=NN2C)C(=O)N3CCC(CC3)C(=O)NC(C)C

DOS

IR

Vibrations