Geometry & MOs

Info

ID:	209529
PubChem CID:	80683578
Reduced:	F2O2N5C12H13 (1)
Stoich.:	A2B2C5D12E13 (1)
Weight, g/mol:	286.215747
ΔH_f, kcal/mol:	-27.73
Dipole, Da:	8.74
IP(EA), eV:	-9.46(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-phenylbutan-1-amine

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCNCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

DOS

IR

Vibrations