Geometry & MOs

Info

ID:	449038
PubChem CID:	135295452
Reduced:	O2S2N7C29H41 (1)
Stoich.:	A2B2C7D29E41 (1)
Weight, g/mol:	330.184447
ΔH_f, kcal/mol:	-7.68
Dipole, Da:	1.96
IP(EA), eV:	-8.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-methyl-2-(9H-pyrido[2,3-b]indol-4-yl)phenyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CC1CCCN1C2CCN(CC2)CC3=C(SC4=C3N=C(N=C4C5=CC(=C(N=C5)OC)NSC)N6CCOCC6)C

DOS

IR

Vibrations