Geometry & MOs

Info

ID:	352888
PubChem CID:	127283978
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	4.59
IP(EA), eV:	-8.78(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=NN(C(=C3)C(C)C)C(C)(C)C)C

DOS

IR

Vibrations