Geometry & MOs

Info

ID:	166299
PubChem CID:	74666996
Reduced:	ClO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	21.28
Dipole, Da:	3.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.022136
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-pyridin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(C=C3)Cl)[NH+](C)C)C

DOS

IR

Vibrations