Geometry & MOs

Info

ID:	246010
PubChem CID:	103035677
Reduced:	BrNOSC12H20 (1)
Stoich.:	ABCDE12F20 (1)
Weight, g/mol:	231.219829
ΔH_f, kcal/mol:	-37.04
Dipole, Da:	3.28
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-ethyl-6-methoxy-6-methylheptan-3-amine

Drug info:

PubChemData

Smile

CC(C)(CCC(C1=CC(=CS1)Br)NC)OC

DOS

IR

Vibrations