Geometry & MOs

Info

ID:	62645
PubChem CID:	26732604
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	400.142307
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	4.34
IP(EA), eV:	-7.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CO3

DOS

IR

Vibrations