Geometry & MOs

Info

ID:	128789
PubChem CID:	51058009
Reduced:	ClNO4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	371.092436
ΔH_f, kcal/mol:	-171.64
Dipole, Da:	7.49
IP(EA), eV:	-9.0(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=C(C1OCC3=CC=C(C=C3)Cl)C(=O)CC(C2)(C)C)C

DOS

IR

Vibrations