Geometry & MOs

Info

ID:	235169
PubChem CID:	92304170
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-99.67
Dipole, Da:	3.37
IP(EA), eV:	-9.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N2[C@@H](COC23CCCCC3)C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations