Geometry & MOs

Info

ID:	355407
PubChem CID:	127288470
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	349.16848
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	3.51
IP(EA), eV:	-8.77(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCCN3C(=O)C(C)C

DOS

IR

Vibrations