Geometry & MOs

Info

ID:	68678
PubChem CID:	46508882
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	7.5
IP(EA), eV:	-8.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 4-hydroxybenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=CC=N4

DOS

IR

Vibrations