Geometry & MOs

Info

ID:	155038
PubChem CID:	56314829
Reduced:	OSN4H22C24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	447.263425
ΔH_f, kcal/mol:	81.45
Dipole, Da:	6.32
IP(EA), eV:	-9.06(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCCN2C(=O)C3=CSC(=N3)C4=CN(N=C4)C5=CC=CC=C5

DOS

IR

Vibrations