Geometry & MOs

Info

ID:	194431
PubChem CID:	78535091
Reduced:	O2H9C11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	403.178358
ΔH_f, kcal/mol:	-74.47
Dipole, Da:	1.83
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)OCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations