Geometry & MOs

Info

ID:	390029
PubChem CID:	134996694
Reduced:	NPO3H24C32 (1)
Stoich.:	ABC3D24E32 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	48.66
Dipole, Da:	6.94
IP(EA), eV:	-9.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(1H-indol-3-yl)-6-phenyl-1,2,4-triazin-3-yl]methylamino]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)[C@H](C[N+](=O)[O-])P(=O)(C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations