Geometry & MOs

Info

ID:	46402
PubChem CID:	10524267
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	387.183444
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	5.35
IP(EA), eV:	-8.23(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-[2-(6-cyanonaphthalen-2-yl)ethyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)C=NC2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations