Geometry & MOs

Info

ID:	178846
PubChem CID:	76389103
Reduced:	FNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-149.59
Dipole, Da:	3.91
IP(EA), eV:	-9.26(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-acetylindol-3-yl)-N-tert-butyl-2-oxobut-3-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC(=O)C(C)C1=CC(=C(C=C1)C2=CC=CC=C2)F

DOS

IR

Vibrations