Geometry & MOs

Info

ID:	194969
PubChem CID:	78614440
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	340.111973
ΔH_f, kcal/mol:	-119.03
Dipole, Da:	2.71
IP(EA), eV:	-8.68(0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(3-methylthiophen-2-yl)methyl]-[(4-oxo-4aH-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)C4(CCCCC4C)NC3=O

DOS

IR

Vibrations