Geometry & MOs

Info

ID:	427369
PubChem CID:	135157770
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-133.9
Dipole, Da:	7.91
IP(EA), eV:	-8.28(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(COC(C)(C)C(=O)C1=CC=C(C=C1)N(C)C)OC(=O)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations