Geometry & MOs

Info

ID:	287644
PubChem CID:	104250015
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	272.04119
ΔH_f, kcal/mol:	-84.05
Dipole, Da:	2.96
IP(EA), eV:	-9.11(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-4-methoxypentan-2-ol

Drug info:

PubChemData

Smile

CC(CC(CC1=NC=CN1C)O)OC

DOS

IR

Vibrations