Geometry & MOs

Info

ID:	145097
PubChem CID:	53460859
Reduced:	O2S2N6C19H28 (1)
Stoich.:	A2B2C6D19E28 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	2.08
Dipole, Da:	6.35
IP(EA), eV:	-8.4(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(CSC1=NN=C2N1C3=C(C4N2NCN4)C5=C(S3)CC(CC5)C)OCC

DOS

IR

Vibrations