Geometry & MOs

Info

ID:	418021
PubChem CID:	135103324
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	-1.87
Dipole, Da:	5.1
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(4-imidazol-1-ylphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations