Geometry & MOs

Info

ID:	322662
PubChem CID:	126670750
Reduced:	BrO3N7C30H32 (1)
Stoich.:	AB3C7D30E32 (1)
Weight, g/mol:	273.108897
ΔH_f, kcal/mol:	-28.91
Dipole, Da:	12.83
IP(EA), eV:	-8.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-4-[3-(trifluoromethyl)diaziridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H]([C@@H]1C)C(=O)NC2=C(C=CC(=N2)Br)C)C(=O)CN3C4=C(C=C(C=C4C)C5=CN=C(N=C5)C)C(=N3)C(=O)C

DOS

IR

Vibrations