Geometry & MOs

Info

ID:	260224
PubChem CID:	103185229
Reduced:	NSO4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-168.27
Dipole, Da:	4.53
IP(EA), eV:	-8.96(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)CCOCCCOC)N

DOS

IR

Vibrations