Geometry & MOs

Info

ID:	360261
PubChem CID:	127300904
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	356.159689
ΔH_f, kcal/mol:	-47.88
Dipole, Da:	10.57
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)COC3=CC4=C(C=C3)OC5=C4CCCC5

DOS

IR

Vibrations