Geometry & MOs

Info

ID:	196071
PubChem CID:	78775949
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	317.246713
ΔH_f, kcal/mol:	-76.6
Dipole, Da:	2.56
IP(EA), eV:	-7.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-methylpentanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)COC3=CC=CC=C3O)C

DOS

IR

Vibrations