Geometry & MOs

Info

ID:	357747
PubChem CID:	127294456
Reduced:	SN3O3C13H25 (1)
Stoich.:	AB3C3D13E25 (1)
Weight, g/mol:	383.268511
ΔH_f, kcal/mol:	-151.48
Dipole, Da:	5.53
IP(EA), eV:	-8.95(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyanophenyl)methyl]-N-(1-propylpiperidin-4-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations