Geometry & MOs

Info

ID:	386086
PubChem CID:	134980740
Reduced:	N2O2C25H28 (1)
Stoich.:	A2B2C25D28 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	3.64
IP(EA), eV:	-8.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1([C@H]2COC3=CC=CC=C3[C@H]2C4=C(O1)N(N=C4C(C)(C)C)C5=CC=CC=C5)C

DOS

IR

Vibrations