Geometry & MOs

Info

ID:	436776
PubChem CID:	135211386
Reduced:	NO3C26H29 (1)
Stoich.:	AB3C26D29 (1)
Weight, g/mol:	315.162314
ΔH_f, kcal/mol:	-74.43
Dipole, Da:	6.38
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)OCCCN3CCCCC3)C(=O)C4=C1OC5=CC=CC=C54)C

DOS

IR

Vibrations