Geometry & MOs

Info

ID:	155996
PubChem CID:	56368647
Reduced:	SN5O5C24H25 (1)
Stoich.:	AB5C5D24E25 (1)
Weight, g/mol:	394.273262
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	8.84
IP(EA), eV:	-9.32(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations