Geometry & MOs

Info

ID:	235159
PubChem CID:	92304150
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-92.66
Dipole, Da:	2.76
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R,7S)-4-(2-fluorobenzoyl)-7-methyl-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N(C1=O)[C@@H](CC)C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations