Geometry & MOs

Info

ID:	155361
PubChem CID:	56352958
Reduced:	ClON5H26C28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	73.09
Dipole, Da:	2.88
IP(EA), eV:	-9.3(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[2-[4-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1C/C(=C\C2=CC=CC=C2Cl)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)N5CCC(CC5)N6C=NC=N6

DOS

IR

Vibrations