Geometry & MOs

Info

ID:	72376
PubChem CID:	48416103
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	359.209658
ΔH_f, kcal/mol:	-179.79
Dipole, Da:	1.99
IP(EA), eV:	-8.81(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=NN(C(=O)CC2)C)C(=O)OC

DOS

IR

Vibrations