Geometry & MOs

Info

ID:	394098
PubChem CID:	135022323
Reduced:	ClNH14C19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	305.097127
ΔH_f, kcal/mol:	89.69
Dipole, Da:	2.3
IP(EA), eV:	-8.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-6-methylquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C=C/C2=NC3=C(C=C2)C=C(C=C3)Cl

DOS

IR

Vibrations