Geometry & MOs

Info

ID:	294606
PubChem CID:	117473416
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-165.2
Dipole, Da:	3.43
IP(EA), eV:	-8.84(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-aminocyclohexyl)-4,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)OC2CCN(CC2)C)O

DOS

IR

Vibrations