Geometry & MOs

Info

ID:	214025
PubChem CID:	81065830
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-135.24
Dipole, Da:	4.71
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(furan-2-yl)butan-2-ylcarbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)N)NCC(C)CC(=O)O)C

DOS

IR

Vibrations