Geometry & MOs

Info

ID:	435243
PubChem CID:	135185993
Reduced:	F3O4N5H22C23 (1)
Stoich.:	A3B4C5D22E23 (1)
Weight, g/mol:	303.137162
ΔH_f, kcal/mol:	-227.41
Dipole, Da:	11.47
IP(EA), eV:	-9.97(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)-4-phenylmethoxyindole

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=CC=N2)C(=O)C3=CC=CC(=C3)COC4=NC=NC(=C4)CN.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations