Geometry & MOs

Info

ID:	145971
PubChem CID:	53619612
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	15.87
Dipole, Da:	1.75
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)C(=O)CC(C)N3C=CC=C3

DOS

IR

Vibrations