Geometry & MOs

Info

ID:	29380
PubChem CID:	833450
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	318.02554
ΔH_f, kcal/mol:	-119.33
Dipole, Da:	5.24
IP(EA), eV:	-9.19(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-ethylphenyl) 2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C=C

DOS

IR

Vibrations