Geometry & MOs

Info

ID:	285250
PubChem CID:	104098809
Reduced:	N6C9H14 (1)
Stoich.:	A6B9C14 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	89.64
Dipole, Da:	1.45
IP(EA), eV:	-9.28(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxy-3-nitrophenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CN1C=CN=C1CNCCN2C=CN=N2

DOS

IR

Vibrations