Geometry & MOs

Info

ID:	263545
PubChem CID:	103377052
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	175.157229
ΔH_f, kcal/mol:	-94.15
Dipole, Da:	3.29
IP(EA), eV:	-9.37(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-amino-3-methylpentan-2-yl)oxypropan-1-ol

Drug info:

PubChemData

Smile

CC(C(C)OC1(CCC2=C(C1)C=CC(=C2)Br)CN)O

DOS

IR

Vibrations