Geometry & MOs

Info

ID:	333570
PubChem CID:	127252122
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	381.141259
ΔH_f, kcal/mol:	-19.47
Dipole, Da:	3.09
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-[3-[2-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC2=NC=CC(=N2)C3CCN(C3)C(=O)COC

DOS

IR

Vibrations