Geometry & MOs

Info

ID:	419742
PubChem CID:	135108929
Reduced:	ClN5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	375.231063
ΔH_f, kcal/mol:	35.7
Dipole, Da:	3.36
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcyclopentyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCCNC2=NC(=NC=C2Cl)C

DOS

IR

Vibrations