Geometry & MOs

Info

ID:	310333
PubChem CID:	126578957
Reduced:	N2O2C7H11 (2)
Stoich.:	A2B2C7D11 (2)
Weight, g/mol:	661.27695
ΔH_f, kcal/mol:	-172.05
Dipole, Da:	5.32
IP(EA), eV:	-9.56(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline

Drug info:

PubChemData

Smile

CCN1C(=O)C(C(C1=O)NCN2C(=O)C(C(C2=O)NC)C)C

DOS

IR

Vibrations