Geometry & MOs

Info

ID:	34068
PubChem CID:	7889694
Reduced:	BrNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	366.02554
ΔH_f, kcal/mol:	-95.65
Dipole, Da:	2.72
IP(EA), eV:	-8.68(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylphenyl)methyl 4-bromobenzoate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations