Geometry & MOs

Info

ID:	196862
PubChem CID:	78888727
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	317.246713
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	2.83
IP(EA), eV:	-9.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropyl)-N-(2-phenylbutyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)CNC(=O)C2CCCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations