Geometry & MOs

Info

ID:	261915
PubChem CID:	103258835
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	8.29
IP(EA), eV:	-9.19(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[[(1S)-1-(4-methylphenyl)ethyl]amino]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)NCC2=C(OC(=C2)C(=O)O)C

DOS

IR

Vibrations