Geometry & MOs

Info

ID:	310839
PubChem CID:	126588109
Reduced:	FNO3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	727.3239
ΔH_f, kcal/mol:	-169.95
Dipole, Da:	1.86
IP(EA), eV:	-8.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenylphenyl]phenyl]phenyl]-1-(4-phenylnaphthalen-1-yl)isoquinoline

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)NC(=O)OCF)COC2=CC(=C(C=C2C)CC)C

DOS

IR

Vibrations