Geometry & MOs

Info

ID:	363336
PubChem CID:	127310848
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	397.16848
ΔH_f, kcal/mol:	2.36
Dipole, Da:	4.6
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4)C

DOS

IR

Vibrations