Geometry & MOs

Info

ID:	385809
PubChem CID:	134980042
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	1.27
IP(EA), eV:	-9.83(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R)-2-(phenoxycarbonylamino)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)[C@]1(C[C@@H]2C[C@H]1C=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations