Geometry & MOs

Info

ID:	285231
PubChem CID:	104098741
Reduced:	F2N3O3H7C12 (1)
Stoich.:	A2B3C3D7E12 (1)
Weight, g/mol:	206.127994
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	5.98
IP(EA), eV:	-9.99(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=NC=C2)F)[N+](=O)[O-])F

DOS

IR

Vibrations