Geometry & MOs

Info

ID:	74718
PubChem CID:	48422350
Reduced:	NF2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	395.182062
ΔH_f, kcal/mol:	-210.78
Dipole, Da:	5.01
IP(EA), eV:	-9.45(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC(F)F)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations