Geometry & MOs

Info

ID:	54179
PubChem CID:	14743551
Reduced:	C27H46 (2)
Stoich.:	A27B46 (2)
Weight, g/mol:	484.11503
ΔH_f, kcal/mol:	-137.25
Dipole, Da:	1.03
IP(EA), eV:	-8.6(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1E,3E)-3-(4-bromophenyl)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC/C(=C\5/CCC6(C(C5)CCC7C6CCC8(C7CCC8C(C)CCCC(C)C)C)C)/C4)C)C

DOS

IR

Vibrations