Geometry & MOs

Info

ID:	202138
PubChem CID:	79634118
Reduced:	N2O2C17H34 (1)
Stoich.:	A2B2C17D34 (1)
Weight, g/mol:	358.03506
ΔH_f, kcal/mol:	-134.13
Dipole, Da:	4.82
IP(EA), eV:	-8.73(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-bromopyridin-2-yl)sulfanyl-1-(methylamino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCNC1(CCCC(C1)N(CC)CC(C)CC)C(=O)O

DOS

IR

Vibrations