Geometry & MOs

Info

ID:	213625
PubChem CID:	81064406
Reduced:	NOC7H16 (2)
Stoich.:	ABC7D16 (2)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-133.12
Dipole, Da:	2.7
IP(EA), eV:	-8.96(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methylpentanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)NC(C)(CCN(C)CCOC(C)C)CO

DOS

IR

Vibrations