Geometry & MOs

Info

ID:	385698
PubChem CID:	134979769
Reduced:	OC24H24 (1)
Stoich.:	AB24C24 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	37.71
Dipole, Da:	1.45
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R)-2-(4-nitrophenyl)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC2=CC=CC=C2C=C1)OC/C=C/C=C\C3=CC=CC=C3

DOS

IR

Vibrations