Geometry & MOs

Info

ID:	361593
PubChem CID:	127303859
Reduced:	O2N7C19H27 (1)
Stoich.:	A2B7C19D27 (1)
Weight, g/mol:	362.163729
ΔH_f, kcal/mol:	13.65
Dipole, Da:	3.64
IP(EA), eV:	-9.57(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)N1CCCC(C1)C2=NN=CN2C3CC3)N4C=CC=N4

DOS

IR

Vibrations