Geometry & MOs

Info

ID:	385900
PubChem CID:	134980273
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	5.03
IP(EA), eV:	-8.96(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(1-hydroxy-1-naphthalen-2-ylethyl)but-3-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1CCCC2[C@]13[C@@H]2[C@H]4C[C@@H]3C5=CC=CC=C45

DOS

IR

Vibrations