Geometry & MOs

Info

ID:	209538
PubChem CID:	80685610
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	5.39
IP(EA), eV:	-7.97(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminophenoxy)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCNC(=O)CCOC2=CC=C(C=C2)N

DOS

IR

Vibrations