Geometry & MOs

Info

ID:	300442
PubChem CID:	121281870
Reduced:	Cl2O3N7C24H33 (1)
Stoich.:	A2B3C7D24E33 (1)
Weight, g/mol:	362.100649
ΔH_f, kcal/mol:	-77.84
Dipole, Da:	6.41
IP(EA), eV:	-9.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-(1-methylpyrazol-3-yl)carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)[C@H](CN1CCOCC1)NCCC2=CC(=C(C=C2Cl)NC(=O)NC3=NC=C(N=C3)C#N)OC.Cl

DOS

IR

Vibrations