Geometry & MOs

Info

ID:	390428
PubChem CID:	134999117
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	307.193614
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	2.69
IP(EA), eV:	-8.1(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(R)-(2-methylanilino)-(4-methylphenyl)methyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@H]2CCC3=CC=CC=C3N2

DOS

IR

Vibrations