Geometry & MOs

Info

ID:	216445
PubChem CID:	85086249
Reduced:	NO2C16H31 (1)
Stoich.:	AB2C16D31 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-115.52
Dipole, Da:	1.38
IP(EA), eV:	-8.77(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-2-[(2-chloroacetyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1CCC(NC1CCCOCOC)CCCC=C

DOS

IR

Vibrations