Geometry & MOs

Info

ID:	223356
PubChem CID:	85334908
Reduced:	N2O5C9H18 (1)
Stoich.:	A2B5C9D18 (1)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	-219.35
Dipole, Da:	2.14
IP(EA), eV:	-9.78(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-butan-2-ylphenyl)methylideneamino]thiourea

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)CCC(=N)N)O)O)O

DOS

IR

Vibrations