Geometry & MOs

Info

ID:	161213
PubChem CID:	57391050
Reduced:	ClN4O5C36H41 (1)
Stoich.:	AB4C5D36E41 (1)
Weight, g/mol:	201.101445
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	7.07
IP(EA), eV:	-8.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(diethylamino)pyrazine-2,5-dicarbonitrile

Drug info:

PubChemData

Smile

C1CC1NC(=O)CC2=CC(=C(C=C2)Cl)CN(C3CC3)C(=O)[C@H]4CNCC(=O)N4C5=CC=C(C=C5)OCCCOCC6=CC=CC=C6

DOS

IR

Vibrations