Geometry & MOs

Info

ID:	275295
PubChem CID:	103815006
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	211.14331
ΔH_f, kcal/mol:	19.72
Dipole, Da:	6.04
IP(EA), eV:	-9.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C(CN)C2=CC=CC=C2

DOS

IR

Vibrations