Geometry & MOs

Info

ID:	281523
PubChem CID:	103913988
Reduced:	BrN2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	334.085098
ΔH_f, kcal/mol:	-122.21
Dipole, Da:	2.66
IP(EA), eV:	-9.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations