Geometry & MOs

Info

ID:	55502
PubChem CID:	17395475
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-2.34
Dipole, Da:	6.05
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1=CC=CC=C1)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations