Geometry & MOs

Info

ID:	333589
PubChem CID:	127252141
Reduced:	F3N7C19H20 (1)
Stoich.:	A3B7C19D20 (1)
Weight, g/mol:	394.172894
ΔH_f, kcal/mol:	-44.67
Dipole, Da:	3.34
IP(EA), eV:	-9.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCC(C2)C3=NC(=NC=C3)NC4=NC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations