Geometry & MOs

Info

ID:	34630
PubChem CID:	7978754
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	413.125467
ΔH_f, kcal/mol:	-89.05
Dipole, Da:	2.3
IP(EA), eV:	-9.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CN4C=NC5=CC=CC=C5C4=O

DOS

IR

Vibrations