Geometry & MOs

Info

ID:	367650
PubChem CID:	127325179
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	2.95
IP(EA), eV:	-9.87(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCCC2)NC(=O)CC(C)C3=CN=CC=C3

DOS

IR

Vibrations