Geometry & MOs

Info

ID:	167688
PubChem CID:	74858505
Reduced:	FO3N4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	-122.28
Dipole, Da:	2.98
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-hydroxy-2-phenylethyl)-propylamino]methyl]-5-(4-methoxyphenyl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(C)C(=O)C1C(=O)N(C(=O)N(N1)C2=CC(=CC(=C2)C)C)CC3=CC(=CC=C3)F

DOS

IR

Vibrations