Geometry & MOs

Info

ID:	130047
PubChem CID:	51074745
Reduced:	N3O5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	306.121572
ΔH_f, kcal/mol:	-53.32
Dipole, Da:	9.05
IP(EA), eV:	-9.14(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-carbamoylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CC(=O)N12)COC3=C(C=CC(=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations