Geometry & MOs

Info

ID:	84044
PubChem CID:	49863775
Reduced:	O3N4C30H40 (1)
Stoich.:	A3B4C30D40 (1)
Weight, g/mol:	520.156345
ΔH_f, kcal/mol:	-67.81
Dipole, Da:	3.0
IP(EA), eV:	-8.1(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2,4-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCCN1C(=C(C=C1C2=CC=CC=C2)C(=O)NCCCN3CCN(CC3)C4=C(C(=CC=C4)OC)OC)C

DOS

IR

Vibrations