Geometry & MOs

Info

ID:	344634
PubChem CID:	127268219
Reduced:	OSN6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	69.79
Dipole, Da:	6.14
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C2=C(S1)CCC2)C#N)N3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations