Geometry & MOs

Info

ID:	342503
PubChem CID:	127265658
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-122.73
Dipole, Da:	0.54
IP(EA), eV:	-9.38(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations