Geometry & MOs

Info

ID:	49379
PubChem CID:	11532946
Reduced:	F2N2C13H14 (2)
Stoich.:	A2B2C13D14 (2)
Weight, g/mol:	472.232185
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	6.01
IP(EA), eV:	-8.51(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-dimethylpropanoylamino)-5-[(2-formyl-3-hydroxy-4,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCNC2=NC=CC(=C2)C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations