Geometry & MOs

Info

ID:	155320
PubChem CID:	56352907
Reduced:	OSN3C24H35 (1)
Stoich.:	ABC3D24E35 (1)
Weight, g/mol:	422.177647
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	5.67
IP(EA), eV:	-8.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)NCC2CCN(CC2)CC3=CC=CS3)C(C)C

DOS

IR

Vibrations