Geometry & MOs

Info

ID:	27399
PubChem CID:	821104
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-41.59
Dipole, Da:	4.47
IP(EA), eV:	-9.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-methoxy-5-nitrophenyl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations