Geometry & MOs

Info

ID:	342501
PubChem CID:	127265656
Reduced:	N3O3H17C20 (1)
Stoich.:	A3B3C17D20 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	9.53
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[(2-methylbut-2-enoylamino)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=N2)CC(=O)NC3=CC=C(C=C3)C=CC(=O)O

DOS

IR

Vibrations