Geometry & MOs

Info

ID:	422196
PubChem CID:	135117381
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	405.252861
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	4.21
IP(EA), eV:	-8.29(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylpiperazin-1-yl)phenyl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C4=NC=C(C=N4)OC)OCC2

DOS

IR

Vibrations