Geometry & MOs

Info

ID:	449043
PubChem CID:	135295486
Reduced:	F2N6C25H34 (1)
Stoich.:	A2B6C25D34 (1)
Weight, g/mol:	318.184447
ΔH_f, kcal/mol:	2.67
Dipole, Da:	2.63
IP(EA), eV:	-7.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(6-methyl-2,9-dihydro-1H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(C(=C1/C=C\C)N=C([C@@H]2[C@H]3CCC(C3)N2)N)(F)F)N=C([C@@H]4CC5(CC5)CN4)N

DOS

IR

Vibrations