Geometry & MOs

Info

ID:	243628
PubChem CID:	99233490
Reduced:	BrO3N5C21H28 (1)
Stoich.:	AB3C5D21E28 (1)
Weight, g/mol:	376.236208
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	2.95
IP(EA), eV:	-9.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-(2-hydroxy-4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)N3CCC[C@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations