Geometry & MOs

Info

ID:	123035
PubChem CID:	50831005
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	460.316189
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	9.74
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3C(=O)NCC=C

DOS

IR

Vibrations