Geometry & MOs

Info

ID:	427684
PubChem CID:	135161253
Reduced:	ClN6C19H29 (1)
Stoich.:	AB6C19D29 (1)
Weight, g/mol:	406.167273
ΔH_f, kcal/mol:	38.32
Dipole, Da:	2.33
IP(EA), eV:	-8.22(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2E)-4-amino-2-[amino(phenyl)methylidene]-3-chloro-4-phenyl-N'-(2-pyrazol-1-ylethyl)but-3-enimidamide

Drug info:

PubChemData

Smile

C/C(=C(\C(=C(\C1=CC=CC=C1)/N)\Cl)/C(=NCCN2CCN(CC2)C)N)/N

DOS

IR

Vibrations