Geometry & MOs

Info

ID:	441440
PubChem CID:	135234681
Reduced:	O2N7C29H39 (1)
Stoich.:	A2B7C29D39 (1)
Weight, g/mol:	411.274659
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	4.52
IP(EA), eV:	-8.13(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1H-indol-3-yl)hexan-2-ylamino]-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]methanol

Drug info:

PubChemData

Smile

CC1CCN(C1)C2=CC=CC(=N2)C(=O)NC3=CC4=CN(N=C4C=C3N5CCCCC5)CCN6CCOCC6

DOS

IR

Vibrations