Geometry & MOs

Info

ID:	448309
PubChem CID:	135290046
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	62.97
Dipole, Da:	9.69
IP(EA), eV:	-8.32(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[2-[2-(dimethylamino)ethoxy]-3,4-dimethoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2CC2)C3=CCN(CC3)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations