Geometry & MOs

Info

ID:	293875
PubChem CID:	117408316
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-73.03
Dipole, Da:	1.93
IP(EA), eV:	-8.06(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1-aminocyclohexyl)-2,4-dimethylbenzoate

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C(=CC(=C2)CC3CCNCC3)OC

DOS

IR

Vibrations