Geometry & MOs

Info

ID:	352780
PubChem CID:	127283869
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-74.02
Dipole, Da:	4.16
IP(EA), eV:	-9.71(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)NC(=O)CN2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations