Geometry & MOs

Info

ID:	126549
PubChem CID:	50967637
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	20.52
Dipole, Da:	3.33
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-7-(6-methylimidazo[2,1-b][1,3]thiazole-3-carbonyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC(=O)NCCN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations