Geometry & MOs

Info

ID:	423082
PubChem CID:	135118905
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	450.187875
ΔH_f, kcal/mol:	-57.92
Dipole, Da:	3.59
IP(EA), eV:	-9.03(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4-methoxypyridin-2-yl)methyl]-3-[5-(trifluoromethyl)pyridin-2-yl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C3=NC=CC(=N3)N4CCC(CC4)O

DOS

IR

Vibrations