Geometry & MOs

Info

ID:	175575
PubChem CID:	75924414
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	438.196371
ΔH_f, kcal/mol:	-36.81
Dipole, Da:	5.02
IP(EA), eV:	-7.97(0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-[3-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)propanoylamino]indol-1-yl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)N(C=C2)CCN(C)C)OCC3CC3

DOS

IR

Vibrations