Geometry & MOs

Info

ID:	415064
PubChem CID:	135088050
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	5.54
IP(EA), eV:	-8.97(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC(CC1)NC2=NC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations