Geometry & MOs

Info

ID:	443189
PubChem CID:	135258045
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	170.167065
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	4.22
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-methoxy-2-methyl-3-propylcyclohexane

Drug info:

PubChemData

Smile

C1C(C2=NC(=NC(=O)C2N1)N)COCCO

DOS

IR

Vibrations