Geometry & MOs

Info

ID:	74912
PubChem CID:	48422687
Reduced:	F2N2O3C19H20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-182.62
Dipole, Da:	3.38
IP(EA), eV:	-9.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)F)F)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations