Geometry & MOs

Info

ID:	303546
PubChem CID:	124489884
Reduced:	BrN3O4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	372.08373
ΔH_f, kcal/mol:	-39.56
Dipole, Da:	7.04
IP(EA), eV:	-9.07(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-bromophenyl)-(4-benzylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations