Geometry & MOs

Info

ID:	158344
PubChem CID:	56463449
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	430.273262
ΔH_f, kcal/mol:	-11.79
Dipole, Da:	13.42
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-1-(3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations