Geometry & MOs

Info

ID:	333584
PubChem CID:	127252136
Reduced:	N7C18H19 (1)
Stoich.:	A7B18C19 (1)
Weight, g/mol:	373.126278
ΔH_f, kcal/mol:	110.29
Dipole, Da:	1.94
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-pyrimidin-2-ylazetidin-3-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC2=NC=CC(=N2)C3CCN(C3)C4=NC=CC=N4

DOS

IR

Vibrations