Geometry & MOs

Info

ID:	273717
PubChem CID:	103799372
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	217.167794
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	1.62
IP(EA), eV:	-9.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2,2-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C(=O)NC(CCO)COC

DOS

IR

Vibrations