Geometry & MOs

Info

ID:	75135
PubChem CID:	48423072
Reduced:	O2F3N3C21H30 (1)
Stoich.:	A2B3C3D21E30 (1)
Weight, g/mol:	359.257277
ΔH_f, kcal/mol:	-220.56
Dipole, Da:	7.52
IP(EA), eV:	-8.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCCN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)OCC3CC3

DOS

IR

Vibrations