Geometry & MOs

Info

ID:	149414
PubChem CID:	53789087
Reduced:	OC24H34 (1)
Stoich.:	AB24C34 (1)
Weight, g/mol:	491.120524
ΔH_f, kcal/mol:	-26.36
Dipole, Da:	1.05
IP(EA), eV:	-9.41(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(1H-imidazol-5-yl)anilino]-[4-(trifluoromethyl)phenyl]methylidene]-5-nitro-1H-indol-2-one

Drug info:

PubChemData

Smile

CC[C@]12CC(=C)[C@@H]3[C@H]4CCC=C[C@@H]4CC[C@H]3[C@@H]1CC[C@]25C(=C)C(O5)C

DOS

IR

Vibrations