Geometry & MOs

Info

ID:	351500
PubChem CID:	127280388
Reduced:	N3O4C19H33 (1)
Stoich.:	A3B4C19D33 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-190.03
Dipole, Da:	1.92
IP(EA), eV:	-9.06(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)CN2CCCC2)OCC3CCCCO3

DOS

IR

Vibrations