Geometry & MOs

Info

ID:	361584
PubChem CID:	127303850
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	388.179379
ΔH_f, kcal/mol:	23.62
Dipole, Da:	12.53
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C=CC(=O)C3=CC=CC=C32)C4=NN=CN4C5CC5

DOS

IR

Vibrations