Geometry & MOs

Info

ID:	184448
PubChem CID:	77162269
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	541.144759
ΔH_f, kcal/mol:	-125.25
Dipole, Da:	4.56
IP(EA), eV:	-9.74(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1CCCC1N2C(=O)C=CC2=O

DOS

IR

Vibrations