Geometry & MOs

Info

ID:	213415
PubChem CID:	81063635
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-204.86
Dipole, Da:	4.28
IP(EA), eV:	-9.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C(C)NC(=O)C1=CC=CO1

DOS

IR

Vibrations