Geometry & MOs

Info

ID:	299130
PubChem CID:	117672195
Reduced:	ClF2O2N5C16H20 (1)
Stoich.:	AB2C2D5E16F20 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-166.62
Dipole, Da:	6.3
IP(EA), eV:	-9.73(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylindol-4-yl)amino]-2-methylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCCC([C@H]1NC2=NC(=NC=C2C#N)Cl)(F)F

DOS

IR

Vibrations