Geometry & MOs

Info

ID:	446247
PubChem CID:	135273468
Reduced:	IO2N4C14H27 (1)
Stoich.:	AB2C4D14E27 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-41.03
Dipole, Da:	4.41
IP(EA), eV:	-9.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methanimidoyl-5-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-2-methylphenyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@H](C[C@@H](CCCCN=[N+]=[N-])C1OCCO1)C[C@H](CI)N

DOS

IR

Vibrations