Geometry & MOs

Info

ID:	141110
PubChem CID:	52820485
Reduced:	BrN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	395.12084
ΔH_f, kcal/mol:	-42.17
Dipole, Da:	2.37
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3Br

DOS

IR

Vibrations