Geometry & MOs

Info

ID:	177365
PubChem CID:	76175325
Reduced:	OCl2N2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	22.0
Dipole, Da:	7.17
IP(EA), eV:	-9.36(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1C(=NC(=C2C=CC(=O)C=C2)N=C1Cl)Cl

DOS

IR

Vibrations