Geometry & MOs

Info

ID:	235178
PubChem CID:	92304181
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-95.62
Dipole, Da:	4.04
IP(EA), eV:	-9.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-(3-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)N([C@@H](CO2)C(=O)NCC3=CC=CC=N3)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations