Geometry & MOs

Info

ID:	165230
PubChem CID:	74519783
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-134.85
Dipole, Da:	8.16
IP(EA), eV:	-8.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]-N-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)OC)OCC(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations