Geometry & MOs

Info

ID:	419015
PubChem CID:	135107333
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	385.215413
ΔH_f, kcal/mol:	-71.38
Dipole, Da:	1.35
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CN=C(C=C2)NC3CC(=O)N(C3)CC4=CC=CC=C4

DOS

IR

Vibrations