Geometry & MOs

Info

ID:	233498
PubChem CID:	90944891
Reduced:	N4O5C31H44 (1)
Stoich.:	A4B5C31D44 (1)
Weight, g/mol:	206.08777
ΔH_f, kcal/mol:	-224.01
Dipole, Da:	1.45
IP(EA), eV:	-9.54(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)C2=C(NN=C2)C3(CCC(CC3)C)C(=O)NC4CCN(CC4)C(=O)OC(C)(C)C

DOS

IR

Vibrations