Geometry & MOs

Info

ID:	305818
PubChem CID:	124970680
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-56.5
Dipole, Da:	3.16
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCO[C@@H](C1)C2=NC(=CC=C2)NC3=NC=CC=N3)OC

DOS

IR

Vibrations