Geometry & MOs

Info

ID:	213949
PubChem CID:	81065582
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-168.63
Dipole, Da:	3.7
IP(EA), eV:	-9.74(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC(C)C1CC2CCC1C2

DOS

IR

Vibrations