Geometry & MOs

Info

ID:	306029
PubChem CID:	125000766
Reduced:	FSO2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	2.26
IP(EA), eV:	-8.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-2-[(3S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=C(C=C2)[C@@H]3CCCN3C(=O)CC4=CC=C(C=C4)F)N

DOS

IR

Vibrations