Geometry & MOs

Info

ID:	445339
PubChem CID:	135266267
Reduced:	N3C31H33 (1)
Stoich.:	A3B31C33 (1)
Weight, g/mol:	471.218974
ΔH_f, kcal/mol:	93.5
Dipole, Da:	4.32
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(4-aminophenyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CC(=C)CC2=CC=C(C=C2)C(CN)C(=C)NC3=CC4=C(C=C3)C=NC=C4)C

DOS

IR

Vibrations