Geometry & MOs

Info

ID:	271664
PubChem CID:	103687739
Reduced:	SN2O3C9H18 (1)
Stoich.:	AB2C3D9E18 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	-147.31
Dipole, Da:	3.57
IP(EA), eV:	-9.73(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(hydroxymethyl)cyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CCCS(=O)(=O)CC1

DOS

IR

Vibrations