Geometry & MOs

Info

ID:	178427
PubChem CID:	76328892
Reduced:	N2H12C13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	514.22162
ΔH_f, kcal/mol:	130.93
Dipole, Da:	4.24
IP(EA), eV:	-8.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-pyridin-2-ylindole

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CN(C3=CC=CC=C32)C4=CC=CC=C4C#N)C5=CC=CC=C5

DOS

IR

Vibrations