Geometry & MOs

Info

ID:	417238
PubChem CID:	135091758
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	55.03
Dipole, Da:	5.08
IP(EA), eV:	-8.66(0.17)
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-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1NCC2=CN(N=C2)C)C

DOS

IR

Vibrations