Geometry & MOs

Info

ID:	435339
PubChem CID:	135191250
Reduced:	N7H15C16 (1)
Stoich.:	A7B15C16 (1)
Weight, g/mol:	420.238608
ΔH_f, kcal/mol:	125.26
Dipole, Da:	5.56
IP(EA), eV:	-8.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[amino(methylamino)methylidene]-5-(imidazol-2-ylidenemethylimino)-1-[[3-(piperidin-1-ylmethyl)phenyl]methyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1NC2=C(N=C(N=C2N1CC3=CC=CC=C3)C4=CN=CN=C4)N

DOS

IR

Vibrations