Geometry & MOs

Info

ID:	441972
PubChem CID:	135247242
Reduced:	NH23C35 (1)
Stoich.:	AB23C35 (1)
Weight, g/mol:	541.226646
ΔH_f, kcal/mol:	161.02
Dipole, Da:	0.66
IP(EA), eV:	-8.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,8-dihydrophenanthren-9-yl]-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC7=C6N5C8=CC=CC=C78

DOS

IR

Vibrations