Geometry & MOs

Info

ID:	335953
PubChem CID:	127254960
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	260.138559
ΔH_f, kcal/mol:	50.91
Dipole, Da:	2.24
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCC(=O)NC2=CC=CC(=C2)C3=NC=NN3

DOS

IR

Vibrations