Geometry & MOs

Info

ID:	293803
PubChem CID:	117402685
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	259.114319
ΔH_f, kcal/mol:	-19.48
Dipole, Da:	4.48
IP(EA), eV:	-8.01(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(thian-4-yl)phenyl]-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=C(C=C2)CN3CCNCC3)O)C

DOS

IR

Vibrations