Geometry & MOs

Info

ID:	198605
PubChem CID:	79124006
Reduced:	BrClNOC16H23 (1)
Stoich.:	ABCDE16F23 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-62.0
Dipole, Da:	2.74
IP(EA), eV:	-9.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]oxepan-4-ol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(CN)C(C2=C(C=CC(=C2)Cl)Br)O)C

DOS

IR

Vibrations