Geometry & MOs

Info

ID:	336042
PubChem CID:	127255049
Reduced:	BrN2O5H27C35 (1)
Stoich.:	AB2C5D27E35 (1)
Weight, g/mol:	392.159689
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	1.62
IP(EA), eV:	-8.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)[C@@H]2[C@@H](N3C([C@]24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)Br)OC

DOS

IR

Vibrations