Geometry & MOs

Info

ID:	177486
PubChem CID:	76192891
Reduced:	NO10C25H29 (1)
Stoich.:	AB10C25D29 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	-286.76
Dipole, Da:	6.69
IP(EA), eV:	-8.75(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[1-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]thiourea

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C(=C(C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C(=C4)OC)OC)OC)OC2C(CO)O)C

DOS

IR

Vibrations