Geometry & MOs

Info

ID:	75661
PubChem CID:	48423813
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-45.8
Dipole, Da:	6.62
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations