Geometry & MOs

Info

ID:	322328
PubChem CID:	126669760
Reduced:	NO2H29C30 (1)
Stoich.:	AB2C29D30 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	4.03
Dipole, Da:	3.31
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)C3=CC(=CC4=CC=CC=C43)C(C)NCC5=CC(=CC=C5)OC)C

DOS

IR

Vibrations