Geometry & MOs

Info

ID:	34232
PubChem CID:	7890411
Reduced:	BrN3O4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-52.41
Dipole, Da:	5.87
IP(EA), eV:	-9.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(3,4-dimethylphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])Br

DOS

IR

Vibrations