Geometry & MOs

Info

ID:	431341
PubChem CID:	135171416
Reduced:	FO2N4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	252.102254
ΔH_f, kcal/mol:	-60.89
Dipole, Da:	4.51
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-amino-2-[(Z)-N'-(3-fluoropyridin-2-yl)carbamimidoyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(C1=C(N(N=C1)C2=C(C=CC=N2)F)N)O

DOS

IR

Vibrations