Geometry & MOs

Info

ID:	285290
PubChem CID:	104098953
Reduced:	N5C14H15 (1)
Stoich.:	A5B14C15 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	111.99
Dipole, Da:	4.77
IP(EA), eV:	-9.29(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC=C2CNCCN3C=CN=N3

DOS

IR

Vibrations