Geometry & MOs

Info

ID:	416743
PubChem CID:	135090276
Reduced:	N4C9H10 (2)
Stoich.:	A4B9C10 (2)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	138.25
Dipole, Da:	7.12
IP(EA), eV:	-9.03(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methoxyethyl)piperidin-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C4=NN=NN4C5=CC=CC=C5

DOS

IR

Vibrations