Geometry & MOs

Info

ID:	245352
PubChem CID:	99443809
Reduced:	BrFN2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	402.04915
ΔH_f, kcal/mol:	-120.82
Dipole, Da:	1.0
IP(EA), eV:	-9.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)Br)F)C(=O)CN2CCCC2=O

DOS

IR

Vibrations