Geometry & MOs

Info

ID:	277518
PubChem CID:	103829160
Reduced:	BrNO2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	3.26
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylpentan-3-ylamino)-3-(1-phenylethoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCC(C)(CC)NCC(COC1=C(C=C(C=C1)C)Br)O

DOS

IR

Vibrations