Geometry & MOs

Info

ID:	143094
PubChem CID:	53145280
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	2.48
IP(EA), eV:	-8.78(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=C(C=C1)NC(=O)N2CCC3=C(C2)NC=N3

DOS

IR

Vibrations