Geometry & MOs

Info

ID:	49116
PubChem CID:	11528727
Reduced:	NSO2C11H19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	229.040675
ΔH_f, kcal/mol:	-110.47
Dipole, Da:	3.13
IP(EA), eV:	-8.99(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-methyl-5-phenylpyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2[C@@H](CCS1)OC[C@@H]2C(C)C

DOS

IR

Vibrations