Geometry & MOs

Info

ID:	39972
PubChem CID:	8143311
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	391.177016
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	7.34
IP(EA), eV:	-8.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CN(CCN1CCOC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations