Geometry & MOs

Info

ID:	192897
PubChem CID:	78323003
Reduced:	OSN2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	3.48
Dipole, Da:	3.04
IP(EA), eV:	-8.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylmethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C=NC3=C(C2=O)SC=C3C4=CC=CC=C4

DOS

IR

Vibrations