Geometry & MOs

Info

ID:	217460
PubChem CID:	85087857
Reduced:	NO3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-186.04
Dipole, Da:	6.77
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6-ethyl-4-oxo-3-(1-phenylethyl)-1,3-diazinane-1-carboxylate

Drug info:

PubChemData

Smile

CCOCCCC1=C(C(=CC(=C1)C(=O)N2CCC2C(=O)NO)OC)OC

DOS

IR

Vibrations