Geometry & MOs

Info

ID:	327722
PubChem CID:	126690886
Reduced:	BrNH16C17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	56.94
Dipole, Da:	1.77
IP(EA), eV:	-7.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S,13R)-4-methoxy-10-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-1,13-diamine

Drug info:

PubChemData

Smile

C1C=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)CBr

DOS

IR

Vibrations