Geometry & MOs

Info

ID:	221146
PubChem CID:	85257009
Reduced:	FSH5N6C12 (1)
Stoich.:	ABC5D6E12 (1)
Weight, g/mol:	286.152872
ΔH_f, kcal/mol:	174.41
Dipole, Da:	1.76
IP(EA), eV:	-9.92(-3.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-amino-5-methoxy-5-oxopentyl)carbamoyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN=C3N2C(=S)N=C4C3=CN=N4)F

DOS

IR

Vibrations