Geometry & MOs

Info

ID:	173617
PubChem CID:	75663382
Reduced:	ON4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	5.06
Dipole, Da:	5.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811887
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dimethylamino)anilino]-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)NC2=CC=C(C=C2)[NH+](C)C

DOS

IR

Vibrations