Geometry & MOs

Info

ID:	280686
PubChem CID:	103850723
Reduced:	SO3N4C12H22 (1)
Stoich.:	AB3C4D12E22 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-105.07
Dipole, Da:	7.4
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1SCC(=O)NC(CCO)COC

DOS

IR

Vibrations