Geometry & MOs

Info

ID:	415549
PubChem CID:	135088545
Reduced:	OSN5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	11.93
Dipole, Da:	3.29
IP(EA), eV:	-8.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=N2)NC(=O)CN(C)CCC3=CN(N=C3)C

DOS

IR

Vibrations