Geometry & MOs

Info

ID:	309783
PubChem CID:	126558696
Reduced:	FO2N7C32H32 (1)
Stoich.:	AB2C7D32E32 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	18.5
Dipole, Da:	13.13
IP(EA), eV:	-8.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclopropylmethyl)-1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-methylsulfanylpyrimidine

Drug info:

PubChemData

Smile

CCCN/C(=C\1/C=C2C(=N1)C=CN=C2C3=CC(=CC(=C3)F)O)/C4=CC(=NC=C4C)C5=CC(=CN=C5)NC(=O)CN(C)C

DOS

IR

Vibrations