Geometry & MOs

Info

ID:	39796
PubChem CID:	8142332
Reduced:	NOH9C11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	401.162708
ΔH_f, kcal/mol:	25.33
Dipole, Da:	6.73
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations