Geometry & MOs

Info

ID:	172099
PubChem CID:	75466706
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	300.99497
ΔH_f, kcal/mol:	-158.61
Dipole, Da:	2.47
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=CC=CC=C2NCC(=O)NC(=O)NC(C)(C)C)C

DOS

IR

Vibrations