Geometry & MOs

Info

ID:	235177
PubChem CID:	92304180
Reduced:	ON2C23H28 (1)
Stoich.:	AB2C23D28 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-17.32
Dipole, Da:	6.01
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C[C@H](C1=CC=C(C=C1)C)C2=CN(C3=CC=CC=C32)CC

DOS

IR

Vibrations