Geometry & MOs

Info

ID:	225804
PubChem CID:	87226313
Reduced:	NOF2C27H47 (1)
Stoich.:	ABC2D27E47 (1)
Weight, g/mol:	171.95397
ΔH_f, kcal/mol:	-209.55
Dipole, Da:	2.9
IP(EA), eV:	-9.63(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-selenopheno[2,3-c]pyrazole

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC(=NO)[C@]3(C)CCC(C)(F)F)C

DOS

IR

Vibrations