Geometry & MOs

Info

ID:	182779
PubChem CID:	76937751
Reduced:	ClON4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	46.22
Dipole, Da:	11.56
IP(EA), eV:	-8.65(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-aminophenyl)-2-hydroxyethyl]sulfanyl-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CC2C(=NC(=C3C=CC(=O)C(=C3)Cl)N=C2NN)C1

DOS

IR

Vibrations