Geometry & MOs

Info

ID:	309912
PubChem CID:	126566708
Reduced:	ClNC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	174.16198
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	6.06
IP(EA), eV:	-10.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-(1-methoxyethyl)-4-methylpentane

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CC2)CN.Cl.Cl

DOS

IR

Vibrations