Geometry & MOs

Info

ID:	192474
PubChem CID:	78273748
Reduced:	NOC15H24 (1)
Stoich.:	ABC15D24 (1)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	2.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754839
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-benzyl-6-(4-methoxybenzoyl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)C[NH2+]CC(C2=CC=CC=C2)O

DOS

IR

Vibrations