Geometry & MOs

Info

ID:	406311
PubChem CID:	135077201
Reduced:	O2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	408.158626
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	3.19
IP(EA), eV:	-10.21(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-1-[(Z)-indol-3-ylidenemethyl]-3-oxo-5-phenylpyrazolidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/CCC1(C(=O)CCCC1=O)CC=C

DOS

IR

Vibrations