Geometry & MOs

Info

ID:	276773
PubChem CID:	103825139
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	355.07831
ΔH_f, kcal/mol:	-138.42
Dipole, Da:	5.16
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations