Geometry & MOs

Info

ID:	213970
PubChem CID:	81065605
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-36.49
Dipole, Da:	6.71
IP(EA), eV:	-9.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(methoxymethyl)phenyl]carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=CC(=NC=C1)C#N

DOS

IR

Vibrations