Geometry & MOs

Info

ID:	423396
PubChem CID:	135119420
Reduced:	ON5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	72.04
Dipole, Da:	3.57
IP(EA), eV:	-9.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)C(=O)C5=CN=C(N=C5)C6CC6

DOS

IR

Vibrations