Geometry & MOs

Info

ID:	205625
PubChem CID:	80128487
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	238.052447
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	5.0
IP(EA), eV:	-9.03(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)N=CN=C2N3CCCC(C3)O

DOS

IR

Vibrations