Geometry & MOs

Info

ID:	136215
PubChem CID:	51999788
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	255.115381
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	4.29
IP(EA), eV:	-8.33(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NCCC2=CNC3=CC=CC=C32)NC(=O)C4CCCCC4

DOS

IR

Vibrations