Geometry & MOs

Info

ID:	183245
PubChem CID:	76998186
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	4.02
IP(EA), eV:	-9.08(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)COC2=CC=CC=C2)N

DOS

IR

Vibrations