Geometry & MOs

Info

ID:	12138
PubChem CID:	131241
Reduced:	ON3C21H24 (2)
Stoich.:	AB3C21D24 (2)
Weight, g/mol:	668.383875
ΔH_f, kcal/mol:	100.87
Dipole, Da:	3.16
IP(EA), eV:	-6.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis[2-(10-methoxy-7,7a-dihydropyrido[4,3-c]carbazol-2-yl)ethyl]hexane-1,6-diamine

Drug info:

PubChemData

Smile

COC1=CC2=C3C(=CC=C4C3=CN(C=C4)CCNCCCCCCNCCN5C=CC6=CC=C7C(=C8C=C(C=CC8N7)OC)C6=C5)NC2C=C1

DOS

IR

Vibrations