Geometry & MOs

Info

ID:	235171
PubChem CID:	92304173
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-125.32
Dipole, Da:	2.99
IP(EA), eV:	-9.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-benzoyl-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=CC=CC=N4

DOS

IR

Vibrations