Geometry & MOs

Info

ID:	415713
PubChem CID:	135088713
Reduced:	FSN4O4C12H19 (1)
Stoich.:	ABC4D4E12F19 (1)
Weight, g/mol:	375.180758
ΔH_f, kcal/mol:	-168.67
Dipole, Da:	6.99
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NC=C(C(=N2)OC)F

DOS

IR

Vibrations