Geometry & MOs

Info

ID:	75074
PubChem CID:	48422954
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-95.35
Dipole, Da:	1.75
IP(EA), eV:	-8.64(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)OC)OCC3CC3

DOS

IR

Vibrations