Geometry & MOs

Info

ID:	198799
PubChem CID:	79153085
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	188.127326
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	4.66
IP(EA), eV:	-9.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-3-hydroxyiminopropyl)-1,3,3-trimethylurea

Drug info:

PubChemData

Smile

CN(C)C(=O)NCC1=CC(=CS1)C#CCO

DOS

IR

Vibrations