Geometry & MOs

Info

ID:	165904
PubChem CID:	74611755
Reduced:	FO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-137.48
Dipole, Da:	4.18
IP(EA), eV:	-8.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(N-benzyl-4-methoxyanilino)methyl]-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CC=CC(=C2)CN3CCC4(CCCCC4C3)O)F

DOS

IR

Vibrations