Geometry & MOs

Info

ID:	426872
PubChem CID:	135154284
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	387.146203
ΔH_f, kcal/mol:	44.37
Dipole, Da:	4.3
IP(EA), eV:	-8.26(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-5-methyl-6-[4-(1-methylindazol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)N3C=CC(=N3)CC4CCCC4)NC

DOS

IR

Vibrations