Geometry & MOs

Info

ID:	355542
PubChem CID:	127288612
Reduced:	OSN6C14H22 (1)
Stoich.:	ABC6D14E22 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	67.37
Dipole, Da:	6.29
IP(EA), eV:	-9.38(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-imidazol-5-yl-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=NN=N1)CN(C)CC(C2=CC=CS2)N3CCOCC3

DOS

IR

Vibrations