Geometry & MOs

Info

ID:	285306
PubChem CID:	104098996
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	93.67
Dipole, Da:	5.7
IP(EA), eV:	-9.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNCCN2C=CN=N2

DOS

IR

Vibrations