Geometry & MOs

Info

ID:	74492
PubChem CID:	48421952
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-129.3
Dipole, Da:	2.14
IP(EA), eV:	-8.62(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations