Geometry & MOs

Info

ID:	406995
PubChem CID:	135079087
Reduced:	NH15C16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	275.092184
ΔH_f, kcal/mol:	71.9
Dipole, Da:	1.04
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C#CCC2=CC=CC=C2N

DOS

IR

Vibrations