Geometry & MOs

Info

ID:	315710
PubChem CID:	126628603
Reduced:	N2H38C57 (1)
Stoich.:	A2B38C57 (1)
Weight, g/mol:	637.251798
ΔH_f, kcal/mol:	256.3
Dipole, Da:	0.48
IP(EA), eV:	-7.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-7,8-dihydroisoquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=CC=CC=C4C35C6=CC=CC=C6C7=C5C=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations