Geometry & MOs

Info

ID:	261999
PubChem CID:	103265521
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	7.2
IP(EA), eV:	-9.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[[(E)-pent-3-enyl]amino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C=C(CNCCNC(=O)C1CC1)C(=O)O

DOS

IR

Vibrations