Geometry & MOs

Info

ID:	377527
PubChem CID:	134223584
Reduced:	NOH25C37 (1)
Stoich.:	ABC25D37 (1)
Weight, g/mol:	516.231397
ΔH_f, kcal/mol:	119.35
Dipole, Da:	3.26
IP(EA), eV:	-8.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(N2C4=CC=CC=C4)C=CC(=C3)C5=CC(=CC=C5)C6=CC7=C(C=C6)OC8=CC=CC=C87

DOS

IR

Vibrations