Geometry & MOs

Info

ID:	182778
PubChem CID:	76937750
Reduced:	OS2N6C8H14 (1)
Stoich.:	AB2C6D8E14 (1)
Weight, g/mol:	276.077789
ΔH_f, kcal/mol:	24.21
Dipole, Da:	7.27
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(4-hydrazinyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)SCC2=C(SN=N2)NN

DOS

IR

Vibrations