Geometry & MOs

Info

ID:	149357
PubChem CID:	53789029
Reduced:	O3C25H34 (1)
Stoich.:	A3B25C34 (1)
Weight, g/mol:	331.205991
ΔH_f, kcal/mol:	-144.42
Dipole, Da:	3.86
IP(EA), eV:	-9.33(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-butylpiperidin-4-yl)methyl]-5-fluoro-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)C(C)C)C(C)(C)O)C(C)(C)O

DOS

IR

Vibrations