Geometry & MOs

Info

ID:	198250
PubChem CID:	79074344
Reduced:	BrNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	269.235479
ΔH_f, kcal/mol:	-32.86
Dipole, Da:	4.68
IP(EA), eV:	-9.02(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(dimethylamino)cycloheptyl]-2-(oxan-4-yl)ethanol

Drug info:

PubChemData

Smile

CN(C)C1(CCCCCC1)C(=O)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations