Geometry & MOs

Info

ID:	75239
PubChem CID:	48423220
Reduced:	NO3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-216.35
Dipole, Da:	2.31
IP(EA), eV:	-9.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CN(C)C(=O)C(CC2=CC=CC=C2)NC(=O)OC)C(=O)OC

DOS

IR

Vibrations