Geometry & MOs

Info

ID:	371276
PubChem CID:	127344640
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	20.45
Dipole, Da:	6.12
IP(EA), eV:	-8.78(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN2C=CN=C2CN1C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations