Geometry & MOs

Info

ID:	75628
PubChem CID:	48423760
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	325.128963
ΔH_f, kcal/mol:	-2.13
Dipole, Da:	3.18
IP(EA), eV:	-9.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC#CC1=CC=CC=C1)OCC2CC2

DOS

IR

Vibrations