Geometry & MOs

Info

ID:	347227
PubChem CID:	127271768
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	4.36
IP(EA), eV:	-8.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CN(N=C3C4CCCCC4)C

DOS

IR

Vibrations