Geometry & MOs

Info

ID:	76118
PubChem CID:	48424464
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-103.12
Dipole, Da:	3.7
IP(EA), eV:	-8.65(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCOC1=CC2=C(CCC2)C=C1)OCC3CC3

DOS

IR

Vibrations