Geometry & MOs

Info

ID:	74576
PubChem CID:	48422113
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	-152.66
Dipole, Da:	6.88
IP(EA), eV:	-8.91(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations