Geometry & MOs

Info

ID:	171510
PubChem CID:	75384471
Reduced:	OS2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	48.33
Dipole, Da:	3.27
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C(S2)CNCC3=CC(=CS3)C(=O)N

DOS

IR

Vibrations