Geometry & MOs

Info

ID:	52572
PubChem CID:	12015494
Reduced:	NO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	317.235479
ΔH_f, kcal/mol:	-90.23
Dipole, Da:	3.24
IP(EA), eV:	-8.94(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-2-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)NC/C=C/COCC2=CC=CC=C2

DOS

IR

Vibrations