Geometry & MOs

Info

ID:	281653
PubChem CID:	103914175
Reduced:	BrN2O3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	274.189257
ΔH_f, kcal/mol:	-128.77
Dipole, Da:	5.51
IP(EA), eV:	-9.09(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(CNC(C(C)C)C(=O)N)O)Br

DOS

IR

Vibrations