Geometry & MOs

Info

ID:	68695
PubChem CID:	46508911
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	6.7
IP(EA), eV:	-8.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=CC=C4O

DOS

IR

Vibrations