Geometry & MOs

Info

ID:	349818
PubChem CID:	127276210
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	2.45
Dipole, Da:	4.36
IP(EA), eV:	-8.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCCC3CN4CCCCC4)C

DOS

IR

Vibrations