Geometry & MOs

Info

ID:	416224
PubChem CID:	135089234
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	363.180758
ΔH_f, kcal/mol:	29.12
Dipole, Da:	2.2
IP(EA), eV:	-8.39(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(benzotriazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C4=NC=C(C=N4)OC

DOS

IR

Vibrations