Geometry & MOs

Info

ID:	177863
PubChem CID:	76245761
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	401.13734
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	10.45
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC=CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C3=NN=CO3)OC

DOS

IR

Vibrations