Geometry & MOs

Info

ID:	285303
PubChem CID:	104098991
Reduced:	BrFN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	40.46
Dipole, Da:	4.16
IP(EA), eV:	-9.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethoxyphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)CNCCN2C=CN=N2

DOS

IR

Vibrations