Geometry & MOs

Info

ID:	414573
PubChem CID:	135087532
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	420.181585
ΔH_f, kcal/mol:	-31.67
Dipole, Da:	1.1
IP(EA), eV:	-9.33(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CCC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations