Geometry & MOs

Info

ID:	186706
PubChem CID:	77471091
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	631.256147
ΔH_f, kcal/mol:	-133.53
Dipole, Da:	3.57
IP(EA), eV:	-9.02(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[[4-[3-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidin-4-yl]phenyl]carbamoyl]piperidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(COC)OC1=CC(=CC(=C1)OCCC2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations