Geometry & MOs

Info

ID:	183961
PubChem CID:	77094730
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	5.74
IP(EA), eV:	-8.57(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C(=O)NCCN2CCC(C2)C3=CC=CC=C3)OC

DOS

IR

Vibrations