Geometry & MOs

Info

ID:	144089
PubChem CID:	53310065
Reduced:	NF3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	370.129298
ΔH_f, kcal/mol:	-111.81
Dipole, Da:	2.41
IP(EA), eV:	-8.79(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(C2=CC=CC=C21)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations