Geometry & MOs

Info

ID:	258885
PubChem CID:	103157336
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	246.157957
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	5.3
IP(EA), eV:	-9.2(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCCCC(=O)N)O

DOS

IR

Vibrations