Geometry & MOs

Info

ID:	256922
PubChem CID:	103142443
Reduced:	BrO2N4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	82.56
Dipole, Da:	4.76
IP(EA), eV:	-9.63(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-ethylazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-])C)Br

DOS

IR

Vibrations