Geometry & MOs

Info

ID:	421392
PubChem CID:	135115909
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	251.118238
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	3.15
IP(EA), eV:	-8.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@@H](C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)N

DOS

IR

Vibrations