Geometry & MOs

Info

ID:	339686
PubChem CID:	127261688
Reduced:	ON3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	4.47
IP(EA), eV:	-9.2(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-phenylhex-5-ynylideneamino]urea

Drug info:

PubChemData

Smile

C1C=CC[C@@H]2[C@H]1CC(=NNC(=O)N)C2

DOS

IR

Vibrations