Geometry & MOs

Info

ID:	418807
PubChem CID:	135106834
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-75.16
Dipole, Da:	8.77
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)NCC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations