Geometry & MOs

Info

ID:	235163
PubChem CID:	92304159
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-123.57
Dipole, Da:	5.31
IP(EA), eV:	-9.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(4-fluorobenzoyl)-8-methyl-N-(pyridin-4-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2[C@H](COC23CCCCC3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations