Geometry & MOs

Info

ID:	431329
PubChem CID:	135171404
Reduced:	NCl2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	333.01874
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	3.84
IP(EA), eV:	-9.32(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-[[(Z)-1-methoxy-3-methyl-2-(trifluoromethyl)but-1-enyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCCCN1C(Cl)Cl)C

DOS

IR

Vibrations