Geometry & MOs

Info

ID:	275294
PubChem CID:	103815005
Reduced:	OSN5C9H17 (1)
Stoich.:	ABC5D9E17 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-10.76
Dipole, Da:	4.2
IP(EA), eV:	-8.71(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)[C@H](CCSC)N

DOS

IR

Vibrations