Geometry & MOs

Info

ID:	403173
PubChem CID:	135059060
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-76.0
Dipole, Da:	3.44
IP(EA), eV:	-8.74(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (E)-3-[5-cyano-1-(dimethylcarbamoyl)indol-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(N(C2=CC=CC=C21)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations