Geometry & MOs

Info

ID:	65384
PubChem CID:	29214834
Reduced:	O2N4C18H23 (1)
Stoich.:	A2B4C18D23 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-14.24
Dipole, Da:	9.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.844352
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]-N-(quinolin-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C[NH+]1CCNC(=O)[C@H]1CC(=O)N(C)CC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations