Geometry & MOs

Info

ID:	385766
PubChem CID:	134979936
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-154.37
Dipole, Da:	3.88
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CC=C(C[C@@H]1O)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations