Geometry & MOs

Info

ID:	413337
PubChem CID:	135086285
Reduced:	FO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	330.136828
ΔH_f, kcal/mol:	-45.83
Dipole, Da:	4.51
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-1-benzyl-N-prop-2-ynylindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)F)C=C1CN=[N+]=[N-]

DOS

IR

Vibrations