Geometry & MOs

Info

ID:	378185
PubChem CID:	134224261
Reduced:	O3N7C23H25 (1)
Stoich.:	A3B7C23D25 (1)
Weight, g/mol:	500.178373
ΔH_f, kcal/mol:	-5.59
Dipole, Da:	7.19
IP(EA), eV:	-8.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[2-[2-(dimethylamino)-2-oxoacetyl]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2)NC3=CN=C(C=C3)N4CCOCC4

DOS

IR

Vibrations