Geometry & MOs

Info

ID:	196218
PubChem CID:	78798938
Reduced:	Cl2O2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	4.75
IP(EA), eV:	-9.01(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=CC=NC=C2)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations