Geometry & MOs

Info

ID:	418760
PubChem CID:	135106715
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	428.267508
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	1.44
IP(EA), eV:	-8.74(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxane-4-carbonyl)-11-(4-phenylbutyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)N2CCCN(CC2)CCOC3=CC=CC(=C3)OC

DOS

IR

Vibrations