Geometry & MOs

Info

ID:	27368
PubChem CID:	820938
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-38.82
Dipole, Da:	3.75
IP(EA), eV:	-7.89(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=CC=CC=C21)OC)N

DOS

IR

Vibrations