Geometry & MOs

Info

ID:	77316
PubChem CID:	48426051
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	401.139842
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	3.96
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(diethylamino)-2-oxoethyl]-3-[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CC1=CN(N=C1)C2=CC=CC=C2

DOS

IR

Vibrations