Geometry & MOs

Info

ID:	275298
PubChem CID:	103815013
Reduced:	ON5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	225.15896
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	4.59
IP(EA), eV:	-9.43(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations