Geometry & MOs

Info

ID:	154672
PubChem CID:	56314162
Reduced:	FN3O5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	430.08045
ΔH_f, kcal/mol:	-113.53
Dipole, Da:	7.56
IP(EA), eV:	-8.78(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC4=CC=CC=C4F

DOS

IR

Vibrations