Geometry & MOs

Info

ID:	312884
PubChem CID:	126609485
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	-43.99
Dipole, Da:	4.77
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[3-cyclohexyl-1-[2-methyl-1-(4-nitrophenyl)indol-3-yl]-1-oxopropan-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

CCCCCC/C(=N\OC(=O)C)/C(=O)C1=C(N(C2=C1C=C(C=C2)C#N)C)C

DOS

IR

Vibrations