Geometry & MOs

Info

ID:	355282
PubChem CID:	127288239
Reduced:	SN6C15H20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	310.190595
ΔH_f, kcal/mol:	102.04
Dipole, Da:	5.86
IP(EA), eV:	-8.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CCN(CC2)C3=NN4C=C(N=C4S3)C

DOS

IR

Vibrations