Geometry & MOs

Info

ID:	183246
PubChem CID:	76998187
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	264.12224
ΔH_f, kcal/mol:	-53.01
Dipole, Da:	4.27
IP(EA), eV:	-9.19(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-ethyl-2-(2-nitrophenyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)CC2=CC(=CC(=C2)C)C)N

DOS

IR

Vibrations