Geometry & MOs

Info

ID:	75291
PubChem CID:	48423287
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	366.17102
ΔH_f, kcal/mol:	-96.42
Dipole, Da:	2.5
IP(EA), eV:	-8.78(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations