Geometry & MOs

Info

ID:	223396
PubChem CID:	85334967
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	-44.36
Dipole, Da:	6.36
IP(EA), eV:	-8.97(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-(3-phenylprop-2-enoxy)phenyl]methylideneamino]thiourea

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=NC=NC2=O)N1C3=CC=C(C=C3)C)C

DOS

IR

Vibrations