Geometry & MOs

Info

ID:	204107
PubChem CID:	79913198
Reduced:	BrNSO2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-36.76
Dipole, Da:	4.12
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC(=C(S2)Br)C

DOS

IR

Vibrations