Geometry & MOs

Info

ID:	306673
PubChem CID:	125165267
Reduced:	NOF2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-254.9
Dipole, Da:	5.2
IP(EA), eV:	-9.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C[C@H](C)NC(=O)C2=CC=CC=C2OC(C(F)F)(F)F

DOS

IR

Vibrations