Geometry & MOs

Info

ID:	391043
PubChem CID:	135002428
Reduced:	BrO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	390.049404
ΔH_f, kcal/mol:	-108.31
Dipole, Da:	2.71
IP(EA), eV:	-9.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[ethoxy-[(7R)-3-oxo-5-phenyl-7-thiophen-2-yl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]chromium

Drug info:

PubChemData

Smile

CCCCCC/C=C(/OC1=CC=CC(=C1)C(=O)OC)\Br

DOS

IR

Vibrations