Geometry & MOs

Info

ID:	276805
PubChem CID:	103825330
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	217.167794
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	4.95
IP(EA), eV:	-9.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-4-methoxybutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)C(=O)NCC(C)(C)CCO

DOS

IR

Vibrations