Geometry & MOs

Info

ID:	170648
PubChem CID:	75263105
Reduced:	ClO3N4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	4.96
IP(EA), eV:	-9.26(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethyl-6-oxo-1,3-diazinan-2-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCC2C(C1)NC(=O)N2)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations