Geometry & MOs

Info

ID:	40354
PubChem CID:	8143981
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	385.169822
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	2.4
IP(EA), eV:	-8.25(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl]-methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCC[C@@H]1C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations