Geometry & MOs

Info

ID:	237846
PubChem CID:	92721947
Reduced:	ClN3O3H24C27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	435.268591
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	2.76
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)NCC4=CC=C(C=C4)Cl)C5=CC=CO5

DOS

IR

Vibrations