Geometry & MOs

Info

ID:	431909
PubChem CID:	135172030
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	495.309707
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	6.63
IP(EA), eV:	-8.38(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-amino-4-(2-ethoxycarbonylphenyl)-N-(2-methylpropyl)anilino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=CC(=C(C=C21)NC(=O)NC3CC3)NCC4=CC=CC=C4)CC(=O)OC(C)(C)C

DOS

IR

Vibrations