Geometry & MOs

Info

ID:	25052
PubChem CID:	617846
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-3.38
Dipole, Da:	8.94
IP(EA), eV:	-8.63(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,3-dicyano-3-[4-(dimethylamino)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=C(C#N)C1=CC=C(C=C1)N(C)C)C#N

DOS

IR

Vibrations