Geometry & MOs

Info

ID:	141142
PubChem CID:	52825615
Reduced:	NOC8H13 (3)
Stoich.:	ABC8D13 (3)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-157.4
Dipole, Da:	6.16
IP(EA), eV:	-8.07(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C)C1=CC=C(C=C1)C(=O)N2CCC[C@@H](C2)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations