Geometry & MOs

Info

ID:	285263
PubChem CID:	104098875
Reduced:	N6C9H14 (1)
Stoich.:	A6B9C14 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	102.13
Dipole, Da:	6.59
IP(EA), eV:	-9.51(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNCCN2C=CN=N2

DOS

IR

Vibrations