Geometry & MOs

Info

ID:	420686
PubChem CID:	135114665
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	310.190595
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	5.2
IP(EA), eV:	-7.99(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(2-aminopyridin-3-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(O1)C(=O)N)CN(C)CC2CCN(C2)C3=CC=CC=C3

DOS

IR

Vibrations