Geometry & MOs

Info

ID:	226379
PubChem CID:	87351460
Reduced:	F4C5H6 (2)
Stoich.:	A4B5C6 (2)
Weight, g/mol:	172.084792
ΔH_f, kcal/mol:	-428.3
Dipole, Da:	2.0
IP(EA), eV:	-11.53(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(carbamoylamino)hex-2-enoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(CF)(F)F)C(C(F)(F)F)(F)F

DOS

IR

Vibrations