Geometry & MOs

Info

ID:	73631
PubChem CID:	48419546
Reduced:	OSN3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	382.119654
ΔH_f, kcal/mol:	24.6
Dipole, Da:	5.56
IP(EA), eV:	-8.14(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[[3-(3-methylpyrazol-1-yl)benzoyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)N3CCCN(CC3)CC4=CC=CS4

DOS

IR

Vibrations