Geometry & MOs

Info

ID:	323118
PubChem CID:	126672685
Reduced:	SN2P2O3H52C73 (1)
Stoich.:	AB2C2D3E52F73 (1)
Weight, g/mol:	438.209599
ΔH_f, kcal/mol:	136.66
Dipole, Da:	9.46
IP(EA), eV:	-8.24(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9H-carbazol-2-yl)-9-(6,6-dimethylcyclohexa-2,4-dien-1-yl)carbazole

Drug info:

Smile

CC1CC=CC(=C1)P(=O)(C2=CC=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC7=C(C=C6)SC8=C7C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC=C1OC1=CC=CC=C1P(=O)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations