Geometry & MOs

Info

ID:	38035
PubChem CID:	8026530
Reduced:	NOF3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	337.127385
ΔH_f, kcal/mol:	-196.49
Dipole, Da:	4.11
IP(EA), eV:	-9.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)NCC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations