Geometry & MOs

Info

ID:	358594
PubChem CID:	127296353
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	4.53
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)CC(=O)NC3=NC(=CS3)CN4CCOCC4

DOS

IR

Vibrations