Geometry & MOs

Info

ID:	419525
PubChem CID:	135108345
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	314.160357
ΔH_f, kcal/mol:	2.63
Dipole, Da:	3.22
IP(EA), eV:	-9.36(-1.22)
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-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=NN12)C)C(=O)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations