Geometry & MOs

Info

ID:	244487
PubChem CID:	99355723
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	350.107813
ΔH_f, kcal/mol:	-122.56
Dipole, Da:	6.98
IP(EA), eV:	-8.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypyridin-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C(=CC(=N2)C(C)C)C(=O)NC3=C(C=CC=N3)OC)C(=O)NC1=O

DOS

IR

Vibrations