Geometry & MOs

Info

ID:	72357
PubChem CID:	48416082
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	401.220223
ΔH_f, kcal/mol:	-138.0
Dipole, Da:	4.33
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CN=C(C=C2)C)C(=O)OC

DOS

IR

Vibrations