Geometry & MOs

Info

ID:	227804
PubChem CID:	87562535
Reduced:	SN5C24H36 (1)
Stoich.:	AB5C24D36 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	87.14
Dipole, Da:	2.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.397309
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazolidin-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CCN(C)C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=[C+]3)N(CC)CCN(C)C

DOS

IR

Vibrations