Geometry & MOs

Info

ID:	183688
PubChem CID:	77058419
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	7.35
IP(EA), eV:	-8.38(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(furan-2-yl)prop-2-enoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=NC(=C2C=CC(=O)C(=C2)OC)NO1)N

DOS

IR

Vibrations