Geometry & MOs

Info

ID:	414367
PubChem CID:	135087323
Reduced:	O3N6C16H18 (1)
Stoich.:	A3B6C16D18 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	25.48
Dipole, Da:	6.19
IP(EA), eV:	-9.27(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=NN1CCC(=O)NCC2=NOC(=C2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations