Geometry & MOs

Info

ID:	419084
PubChem CID:	135107454
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	-144.73
Dipole, Da:	7.36
IP(EA), eV:	-9.46(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC(=O)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations