Geometry & MOs

Info

ID:	419082
PubChem CID:	135107452
Reduced:	ClO2N6C21H27 (1)
Stoich.:	AB2C6D21E27 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	12.02
Dipole, Da:	5.66
IP(EA), eV:	-8.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)CCCC2=NC(=NO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations