Geometry & MOs

Info

ID:	427448
PubChem CID:	135159036
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	319.14331
ΔH_f, kcal/mol:	-77.88
Dipole, Da:	6.52
IP(EA), eV:	-9.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[5-(aminomethyl)-1,3-dihydrobenzimidazol-2-ylidene]-3-(4-methylphenyl)-1H-pyrazol-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2OCC3=CC=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations