Geometry & MOs

Info

ID:	80254
PubChem CID:	49833746
Reduced:	SiN3O5C34H45 (1)
Stoich.:	AB3C5D34E45 (1)
Weight, g/mol:	228.101111
ΔH_f, kcal/mol:	-267.51
Dipole, Da:	4.7
IP(EA), eV:	-8.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[4-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(O)OCC1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C=C2)C3=CC=CC=C3)NC(=O)OC4CCN(CC4)C

DOS

IR

Vibrations