Geometry & MOs

Info

ID:	137965
PubChem CID:	52292473
Reduced:	N2O6C27H30 (1)
Stoich.:	A2B6C27D30 (1)
Weight, g/mol:	433.257671
ΔH_f, kcal/mol:	-131.47
Dipole, Da:	4.87
IP(EA), eV:	-8.8(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)[C@@H]3[C@@H](C(=O)N3C[C@@H]4CCCO4)OC5=CC=CC(=C5)OC

DOS

IR

Vibrations