Geometry & MOs

Info

ID:	126088
PubChem CID:	50950965
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-66.77
Dipole, Da:	7.93
IP(EA), eV:	-8.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-2-(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)-N-propylacetamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=O)C2=C(N1)CCN(CC2)CC3=CC(=C(C=C3)OC)O

DOS

IR

Vibrations