Geometry & MOs

Info

ID:	416218
PubChem CID:	135089228
Reduced:	OS2N6C15H20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	58.72
Dipole, Da:	1.91
IP(EA), eV:	-8.9(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CN(C)CC2=CC(=O)N3C(=N2)SC(=N3)SC

DOS

IR

Vibrations