Geometry & MOs

Info

ID:	243121
PubChem CID:	99215753
Reduced:	OSN2C21H28 (1)
Stoich.:	ABC2D21E28 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-12.37
Dipole, Da:	4.39
IP(EA), eV:	-8.59(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)[C@@H](C)N(C)C(=O)[C@H]2CCCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations