Geometry & MOs

Info

ID:	157345
PubChem CID:	56422907
Reduced:	O2N3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-86.52
Dipole, Da:	9.47
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations