Geometry & MOs

Info

ID:	305393
PubChem CID:	124807084
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	309.16079
ΔH_f, kcal/mol:	-90.99
Dipole, Da:	2.89
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-chloropyrazol-1-yl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)N2CC3(C2)C[C@H](CCO3)OC4=NC=CC=N4

DOS

IR

Vibrations