Geometry & MOs

Info

ID:	148177
PubChem CID:	53787839
Reduced:	BrNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	444.149222
ΔH_f, kcal/mol:	-3.31
Dipole, Da:	5.26
IP(EA), eV:	-9.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-ethoxy-7-ethyl-5,8-diphenylnaphthalen-1-yl) acetate

Drug info:

PubChemData

Smile

CC[C@H](C)COC1=C(C=C(C=C1)Br)C#N

DOS

IR

Vibrations