Geometry & MOs

Info

ID:	427535
PubChem CID:	135159658
Reduced:	SN4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	460.09102
ΔH_f, kcal/mol:	83.7
Dipole, Da:	2.2
IP(EA), eV:	-8.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (8R)-8-(2-bromo-4-fluorophenyl)-2-methyl-6-(3H-pyrrol-2-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-9-carboxylate

Drug info:

PubChemData

Smile

CNC1CC2=C(CN=C(N2C1)C3=NC=CS3)C=C

DOS

IR

Vibrations