Geometry & MOs

Info

ID:	414347
PubChem CID:	135087303
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	313.165108
ΔH_f, kcal/mol:	-26.61
Dipole, Da:	3.0
IP(EA), eV:	-9.45(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations