Geometry & MOs

Info

ID:	369599
PubChem CID:	127334845
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	25.35
Dipole, Da:	6.75
IP(EA), eV:	-8.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylcyclohexyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)NCC4CCCN4C5=NN=CC=C5

DOS

IR

Vibrations