Geometry & MOs

Info

ID:	143313
PubChem CID:	53185951
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	366.241962
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	2.09
IP(EA), eV:	-8.42(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(diethylamino)pyridin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CCC2=CC(=NC=C2)N3CCCC3

DOS

IR

Vibrations