Geometry & MOs

Info

ID:	160259
PubChem CID:	57309605
Reduced:	ClNOC9H16 (1)
Stoich.:	ABCD9E16 (1)
Weight, g/mol:	487.269573
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	2.26
IP(EA), eV:	-9.92(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl] carbamate

Drug info:

PubChemData

Smile

C=CCC(CCNO)(CC=C)Cl

DOS

IR

Vibrations