Geometry & MOs

Info

ID:	431213
PubChem CID:	135171283
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	407.206973
ΔH_f, kcal/mol:	11.05
Dipole, Da:	4.19
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=NO2)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations