Geometry & MOs

Info

ID:	122458
PubChem CID:	50807493
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	469.252941
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	9.48
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCCCC3)C(=O)O

DOS

IR

Vibrations