Geometry & MOs

Info

ID:	58847
PubChem CID:	24714950
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	3.92
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylaminomethyl)-5-(2-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(C2CCNCC2)C(=O)NCC=C

DOS

IR

Vibrations