Geometry & MOs

Info

ID:	211631
PubChem CID:	81044582
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	279.20591
ΔH_f, kcal/mol:	-61.21
Dipole, Da:	1.05
IP(EA), eV:	-8.4(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)CNC(=O)CC(C)C2CCCNC2

DOS

IR

Vibrations