Geometry & MOs

Info

ID:	202156
PubChem CID:	79636685
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	285.194008
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	4.69
IP(EA), eV:	-8.92(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(methylamino)-3-(oxan-4-ylmethoxy)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)N(CC)C2CC2)C(=O)O

DOS

IR

Vibrations