Geometry & MOs

Info

ID:	140196
PubChem CID:	52660082
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	445.13649
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	2.94
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(adamantane-1-carbonyl)-N-(5-bromopyridin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C1=NC2=CC=CC=C2N1)NC(=O)CCC(=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations