Geometry & MOs

Info

ID:	195160
PubChem CID:	78646469
Reduced:	N3O6H11C13 (1)
Stoich.:	A3B6C11D13 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-106.63
Dipole, Da:	2.29
IP(EA), eV:	-9.7(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-methoxy-4-methylbenzoate

Drug info:

PubChemData

Smile

CC(C#N)OC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations