Geometry & MOs

Info

ID:	415857
PubChem CID:	135088859
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-127.06
Dipole, Da:	4.59
IP(EA), eV:	-9.35(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations