Geometry & MOs

Info

ID:	275292
PubChem CID:	103815003
Reduced:	ON6C11H20 (1)
Stoich.:	AB6C11D20 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-13.75
Dipole, Da:	5.11
IP(EA), eV:	-9.53(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)CN2CCC(CC2)N

DOS

IR

Vibrations