Geometry & MOs

Info

ID:	171840
PubChem CID:	75432911
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	345.133808
ΔH_f, kcal/mol:	-28.31
Dipole, Da:	6.46
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(CCCO1)C(=O)NCCCC2=NN(C(=C2)N)C3=CC=CC=C3

DOS

IR

Vibrations