Geometry & MOs

Info

ID:	40421
PubChem CID:	8144093
Reduced:	ClO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	315.145715
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	2.83
IP(EA), eV:	-8.31(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations