Geometry & MOs

Info

ID:	222446
PubChem CID:	85300751
Reduced:	NOCl2H13C18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	336.171002
ΔH_f, kcal/mol:	55.53
Dipole, Da:	2.49
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-[1-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,2-d]pyrimidin-2-yl]guanidine

Drug info:

PubChemData

Smile

CC1(C(O1)C2=CC=C(C=C2)Cl)C=C(C#N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations