Geometry & MOs

Info

ID:	20766
PubChem CID:	585585
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-47.01
Dipole, Da:	4.53
IP(EA), eV:	-9.23(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2,2-diphenylethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations