Geometry & MOs

Info

ID:	165952
PubChem CID:	74618655
Reduced:	BrN2O7H17C19 (1)
Stoich.:	AB2C7D17E19 (1)
Weight, g/mol:	409.176834
ΔH_f, kcal/mol:	-136.49
Dipole, Da:	5.15
IP(EA), eV:	-8.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C=CC(=O)OCC2=NN=C(O2)C3=CC=C(O3)Br)OC)OC

DOS

IR

Vibrations