Geometry & MOs

Info

ID:	203768
PubChem CID:	79867769
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	209.12766
ΔH_f, kcal/mol:	-18.21
Dipole, Da:	2.79
IP(EA), eV:	-8.98(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCC1N)C2=CC(=NC=N2)OC

DOS

IR

Vibrations