Geometry & MOs

Info

ID:	74585
PubChem CID:	48422124
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	5.19
IP(EA), eV:	-9.49(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=NC=C1)OCC2CC2

DOS

IR

Vibrations