Geometry & MOs

Info

ID:	148462
PubChem CID:	53788124
Reduced:	OF2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	466.175339
ΔH_f, kcal/mol:	-173.22
Dipole, Da:	4.28
IP(EA), eV:	-9.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12CCC3[C@H]4CCC(=O)C=C4CCC3C1CCC2(F)F

DOS

IR

Vibrations