Geometry & MOs

Info

ID:	394387
PubChem CID:	135022898
Reduced:	N3O3H25C28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	61.54
Dipole, Da:	5.57
IP(EA), eV:	-8.36(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-(2-cyanophenyl)-3-(dimethylamino)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N=[N+]=[N-])OCC4=CC=CC=C4

DOS

IR

Vibrations