Geometry & MOs

Info

ID:	235166
PubChem CID:	92304166
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-90.03
Dipole, Da:	3.21
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-8-methyl-4-(2-phenylacetyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=N1)N2C3=CC=CC=C3C(=O)N(C2=O)C(C)C

DOS

IR

Vibrations