Geometry & MOs

Info

ID:	145752
PubChem CID:	53587715
Reduced:	N3O5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	10.77
IP(EA), eV:	-9.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylphenyl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC1=COC=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations