Geometry & MOs

Info

ID:	378319
PubChem CID:	134224396
Reduced:	F3O4N6H19C23 (1)
Stoich.:	A3B4C6D19E23 (1)
Weight, g/mol:	486.162723
ΔH_f, kcal/mol:	-209.86
Dipole, Da:	5.43
IP(EA), eV:	-8.77(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(3,4-dihydro-2H-1,4-benzoxazin-7-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations