Geometry & MOs

Info

ID:	166186
PubChem CID:	74648351
Reduced:	NO5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	426.115047
ΔH_f, kcal/mol:	-149.07
Dipole, Da:	4.37
IP(EA), eV:	-8.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NCCC2=CC(=C(C=C2)O)O)OC

DOS

IR

Vibrations