Geometry & MOs

Info

ID:	444714
PubChem CID:	135263303
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	596.372641
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	5.68
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-methyl-3-[2-[[(4-methyl-2-piperidin-1-ylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=CN=CC(=C2)CC(=O)O

DOS

IR

Vibrations