Geometry & MOs

Info

ID:	233371
PubChem CID:	89854147
Reduced:	NC13H21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	412.187937
ΔH_f, kcal/mol:	0.26
Dipole, Da:	1.56
IP(EA), eV:	-8.59(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylpentanoic acid;2-amino-4-methylsulfanylbutanoic acid;4-methoxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(CC1=CC=C(C=C1)C)N(C)C

DOS

IR

Vibrations