Geometry & MOs

Info

ID:	15302
PubChem CID:	436578
Reduced:	ClN2H23C24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	374.154976
ΔH_f, kcal/mol:	78.5
Dipole, Da:	7.59
IP(EA), eV:	-7.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-1-methyl-2H-quinoline

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3C=CC4=C(N3C)C=CC(=C4)Cl

DOS

IR

Vibrations