Geometry & MOs

Info

ID:	361541
PubChem CID:	127303733
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	11.09
IP(EA), eV:	-9.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C=C(C(=O)N2)C(=O)NCC3=NN=CN3C4CC4)C(=O)C1)C

DOS

IR

Vibrations