Geometry & MOs

Info

ID:	203469
PubChem CID:	79835769
Reduced:	BrNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	243.219829
ΔH_f, kcal/mol:	-95.48
Dipole, Da:	2.49
IP(EA), eV:	-9.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCCCN1C(=O)/C=C/C2=CC=C(C=C2)Br

DOS

IR

Vibrations