Geometry & MOs

Info

ID:	126574
PubChem CID:	50968493
Reduced:	N7H17C18 (1)
Stoich.:	A7B17C18 (1)
Weight, g/mol:	349.076409
ΔH_f, kcal/mol:	170.77
Dipole, Da:	9.73
IP(EA), eV:	-9.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NC(=NN2)C(C3=CC=CC=C3)N4C=NN=N4

DOS

IR

Vibrations