Geometry & MOs

Info

ID:	414088
PubChem CID:	135087042
Reduced:	N2O3F5H15C21 (1)
Stoich.:	A2B3C5D15E21 (1)
Weight, g/mol:	364.157563
ΔH_f, kcal/mol:	-244.39
Dipole, Da:	5.48
IP(EA), eV:	-8.8(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-methyl-3-(2-phenylethynyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=NOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)CCC2=CN(C3=CC=CC=C32)C(=O)C

DOS

IR

Vibrations