Geometry & MOs

Info

ID:	414385
PubChem CID:	135087341
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	349.201494
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	3.43
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)C

DOS

IR

Vibrations