Geometry & MOs

Info

ID:	61919
PubChem CID:	26715860
Reduced:	BrN3O5H14C16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-57.52
Dipole, Da:	7.41
IP(EA), eV:	-9.13(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-5-nitro-N-[(2S)-2-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations