Geometry & MOs

Info

ID:	213343
PubChem CID:	81063490
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-131.93
Dipole, Da:	4.34
IP(EA), eV:	-9.15(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCN1C(=CC(=N1)C)C

DOS

IR

Vibrations