Geometry & MOs

Info

ID:	204851
PubChem CID:	80020903
Reduced:	NS2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	274.01393
ΔH_f, kcal/mol:	0.73
Dipole, Da:	0.95
IP(EA), eV:	-8.66(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methanethiol

Drug info:

PubChemData

Smile

CCN(CC1=CC=CS1)CC2(CCCCCC2)CS

DOS

IR

Vibrations