Geometry & MOs

Info

ID:	430971
PubChem CID:	135171041
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	387.146203
ΔH_f, kcal/mol:	-24.69
Dipole, Da:	4.02
IP(EA), eV:	-8.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=CC=C4OC

DOS

IR

Vibrations