Geometry & MOs

Info

ID:	253349
PubChem CID:	103117900
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	280.135782
ΔH_f, kcal/mol:	16.68
Dipole, Da:	7.08
IP(EA), eV:	-8.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-carbamothioylcycloheptyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3(CCCC3)C(=S)N

DOS

IR

Vibrations