Geometry & MOs

Info

ID:	84039
PubChem CID:	49863666
Reduced:	ON2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	467.268511
ΔH_f, kcal/mol:	18.76
Dipole, Da:	4.97
IP(EA), eV:	-7.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-5-phenyl-N-[3-(4-quinolin-8-ylpiperazin-1-yl)propyl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2N)OC

DOS

IR

Vibrations