Geometry & MOs

Info

ID:	163411
PubChem CID:	57937160
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	584.246378
ΔH_f, kcal/mol:	13.06
Dipole, Da:	4.89
IP(EA), eV:	-8.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-[4-[4-(1,2,2-triphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC2C(C1)N(C3=C2C=C(C=C3)C=O)C4=CC=CC=C4

DOS

IR

Vibrations