Geometry & MOs

Info

ID:	125997
PubChem CID:	50947868
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	389.196408
ΔH_f, kcal/mol:	24.02
Dipole, Da:	2.77
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=NC(=C2)NCCNC(=O)C3=CC=CO3)C

DOS

IR

Vibrations