Geometry & MOs

Info

ID:	148642
PubChem CID:	53788310
Reduced:	O4N5C25H31 (1)
Stoich.:	A4B5C25D31 (1)
Weight, g/mol:	461.292994
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	6.22
IP(EA), eV:	-9.53(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(5,5-dimethyl-4-octyl-4,6,7,9-tetrahydrocarbazol-1-yl)prop-1-enyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCC(CC(C(CC1=CN=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)NO

DOS

IR

Vibrations