Geometry & MOs

Info

ID:	333587
PubChem CID:	127252139
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	389.157578
ΔH_f, kcal/mol:	23.4
Dipole, Da:	3.93
IP(EA), eV:	-9.32(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCC(C2)C3=NC(=NC=C3)NC4=NC=CN=C4

DOS

IR

Vibrations