Geometry & MOs

Info

ID:	70236
PubChem CID:	48409676
Reduced:	F2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	362.15902
ΔH_f, kcal/mol:	-167.99
Dipole, Da:	1.8
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(3-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)COC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations