Geometry & MOs

Info

ID:	122467
PubChem CID:	50807782
Reduced:	ClO2N3C26H32 (1)
Stoich.:	AB2C3D26E32 (1)
Weight, g/mol:	463.23904
ΔH_f, kcal/mol:	-49.68
Dipole, Da:	4.88
IP(EA), eV:	-8.27(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COCCCNC(=O)C1CCN(CC1)CC2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations