Geometry & MOs

Info

ID:	344648
PubChem CID:	127268233
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	28.24
Dipole, Da:	3.93
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations