Geometry & MOs

Info

ID:	344613
PubChem CID:	127268197
Reduced:	N2O2C9H14 (2)
Stoich.:	A2B2C9D14 (2)
Weight, g/mol:	299.185844
ΔH_f, kcal/mol:	-130.67
Dipole, Da:	6.23
IP(EA), eV:	-8.95(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCN(CC2)C(C)C(=O)N3CCOCC3

DOS

IR

Vibrations