Geometry & MOs

Info

ID:	75320
PubChem CID:	48423325
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	1.76
IP(EA), eV:	-8.77(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations