Geometry & MOs

Info

ID:	320423
PubChem CID:	126660736
Reduced:	ON7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	563.270796
ΔH_f, kcal/mol:	97.6
Dipole, Da:	3.62
IP(EA), eV:	-8.79(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-[6-amino-5-[C-[2-fluoro-4-(4-fluorobenzoyl)phenyl]-N-methylcarbonimidoyl]pyrimidin-4-yl]propyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NN2C=C(N=C(C2=N1)N3CCOCC3)C4=CN=C(C=C4)C=N

DOS

IR

Vibrations