Geometry & MOs

Info

ID:	165955
PubChem CID:	74618851
Reduced:	FN3O4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	321.128883
ΔH_f, kcal/mol:	-235.55
Dipole, Da:	4.25
IP(EA), eV:	-9.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations