Geometry & MOs

Info

ID:	367082
PubChem CID:	127323135
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	1.88
IP(EA), eV:	-8.96(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)CC(=O)NC3CCCC4=CC=CC=C34

DOS

IR

Vibrations