Geometry & MOs

Info

ID:	418347
PubChem CID:	135104241
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	388.207468
ΔH_f, kcal/mol:	-11.44
Dipole, Da:	5.5
IP(EA), eV:	-8.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(2,3-difluoro-6-methoxyphenyl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CN=C(NC4=O)C5CC5

DOS

IR

Vibrations