Geometry & MOs

Info

ID:	201735
PubChem CID:	79572649
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	252.104482
ΔH_f, kcal/mol:	42.82
Dipole, Da:	3.14
IP(EA), eV:	-8.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

C1CC(C(C1)N)CCN2C3=CC=CC=C3C=N2

DOS

IR

Vibrations