Geometry & MOs

Info

ID:	343127
PubChem CID:	127266300
Reduced:	OSN5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	35.35
Dipole, Da:	3.55
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(dimethylamino)isoquinolin-6-yl]-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=CC=C2)NC(=O)N3CCSCC3

DOS

IR

Vibrations